From c42c62854cf8279acae4956336b48b78e4f230d8 Mon Sep 17 00:00:00 2001
From: Elisa Rebolini <rebolini@ill.fr>
Date: Fri, 4 Feb 2022 10:00:35 +0100
Subject: [PATCH] update test sans omp
---
cmake/TestsRelaxSE.cmake | 6 +
test/CuO_02204/result/cuo.propout | 560 +-
test/CuO_02204/test_prop | 5 +-
test/CuO_03450/result/cuo.propout | 27576 ++++++++++++++++++++++++++++
test/CuO_03450/test_prop | 26 +
5 files changed, 27891 insertions(+), 282 deletions(-)
create mode 100644 test/CuO_03450/result/cuo.propout
create mode 100644 test/CuO_03450/test_prop
diff --git a/cmake/TestsRelaxSE.cmake b/cmake/TestsRelaxSE.cmake
index 71224927..671d127a 100644
--- a/cmake/TestsRelaxSE.cmake
+++ b/cmake/TestsRelaxSE.cmake
@@ -72,5 +72,11 @@ if(ENABLE_DEV)
COMMAND python3 ${CMAKE_SOURCE_DIR}/test/CuO_02204/test_prop --binary-dir=${CMAKE_BINARY_DIR} --work-dir=${CMAKE_BINARY_DIR}/test/CuO_02204 --verbose --log=${CMAKE_BINARY_DIR}/test/CuO_02204/runtest.stderr.logprop)
set_tests_properties(prop_CuO_02204 PROPERTIES
RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/test/CuO_02204)
+
+ add_test(
+ NAME prop_CuO_03450
+ COMMAND python3 ${CMAKE_SOURCE_DIR}/test/CuO_03450/test_prop --binary-dir=${CMAKE_BINARY_DIR} --work-dir=${CMAKE_BINARY_DIR}/test/CuO_03450 --verbose --log=${CMAKE_BINARY_DIR}/test/CuO_03450/runtest.stderr.logprop)
+ set_tests_properties(prop_CuO_03450 PROPERTIES
+ RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/test/CuO_03450)
endif()
diff --git a/test/CuO_02204/result/cuo.propout b/test/CuO_02204/result/cuo.propout
index 61b199b4..558d0bd3 100644
--- a/test/CuO_02204/result/cuo.propout
+++ b/test/CuO_02204/result/cuo.propout
@@ -4,8 +4,7 @@
***********************************************
DEBUG VersionT
- OMP version - running on 8 threads
- Calculation started on 02-02-2022 at 11:32
+ Calculation started on 03-02-2022 at 09:50
>>> Method sas+s
>>> Ouverture des fichiers
@@ -108,7 +107,7 @@ Contains 1 determinants
Nb of determinants in D-20 = 0
>>> Determinant block D-20 generated in 0.00 second(s)
Total Nb of determinant 192
- >>>Determinants generated in 8.1199999999999935E-004 second(s)
+ >>>Determinants generated in 6.9499999999999987E-004 second(s)
>>> Reading determinants in file bdet
@@ -126,205 +125,205 @@ Contains 1 determinants
Ener -462.54534104 -462.54527238
Pcas 0.99996787 0.99996130
-01 10 0.70709542 -0.08762904
-10 01 -0.70709542 -0.08762904
+01 10 -0.70709542 -0.08762904
+10 01 0.70709542 -0.08762904
01 01 0.00000000 -0.69460380
10 10 -0.00000000 0.70861072
>>> Active space projection in CPU time 0.00s, Wall time 0.00 s
>>> Total WFs
- 1 01 10 -> 0.707095422662 -0.087629043582
- 2 10 01 -> -0.707095422662 -0.087629043582
+ 1 01 10 -> -0.707095422662 -0.087629043583
+ 2 10 01 -> 0.707095422662 -0.087629043582
3 01 01 -> 0.000000000000 -0.694603803795
4 10 10 -> -0.000000000000 0.708610720540
- 5 01 10 41u -> 45u -0.000067829689 0.000475546283
- 6 10 01 41u -> 45u -0.000026280288 -0.000359151569
- 7 01 01 41u -> 45u -0.000475241964 0.000051261659
- 8 10 10 41u -> 45u 0.000371144938 0.000017459385
- 9 01 10 42u -> 45u -0.000004699863 0.000246955692
- 10 10 01 42u -> 45u 0.000000178858 -0.000327632382
- 11 01 01 42u -> 45u -0.000284944902 0.000006654830
- 12 10 10 42u -> 45u 0.000298366206 0.000001946961
- 13 00 11 41d -> 45u 0.000945193770 -0.000834698827
- 14 00 11 42d -> 45u 0.000277860826 -0.000574590329
- 15 01 10 41u -> 46u 0.000213674434 -0.000145436873
- 16 10 01 41u -> 46u 0.000254389953 -0.000004339865
- 17 01 01 41u -> 46u 0.000086636855 -0.000067841519
- 18 10 10 41u -> 46u 0.000009441959 -0.000150740477
- 19 01 10 42u -> 46u 0.000014439248 -0.000733005614
- 20 10 01 42u -> 46u -0.000028756843 0.001067080286
- 21 01 01 42u -> 46u 0.000825056891 0.000039853625
- 22 10 10 42u -> 46u -0.001024579646 0.000145384109
- 23 00 11 41d -> 46u -0.000480681512 0.000141096975
- 24 00 11 42d -> 46u -0.000926701253 0.001800087742
- 25 01 10 41u -> 47u 0.000104625341 0.000067136889
- 26 10 01 41u -> 47u 0.000108076608 0.000073883417
- 27 01 01 41u -> 47u -0.000054656599 -0.000102057715
- 28 10 10 41u -> 47u -0.000021880236 -0.000087843632
- 29 01 10 42u -> 47u -0.000045446849 0.000334894807
- 30 10 01 42u -> 47u -0.000004034187 -0.000394833337
- 31 01 01 42u -> 47u -0.000385443101 0.000021835676
- 32 10 10 42u -> 47u 0.000355935728 -0.000016778192
- 33 00 11 41d -> 47u 0.000164048708 0.000006746190
- 34 00 11 42d -> 47u 0.000349071953 -0.000729731243
- 35 01 10 41u -> 48u 0.000198316262 0.000000074731
- 36 10 01 41u -> 48u 0.000205626767 0.000051235041
- 37 01 01 41u -> 48u -0.000040736279 -0.000119560542
- 38 10 10 41u -> 48u -0.000037295114 -0.000130678457
- 39 01 10 42u -> 48u -0.000056058023 -0.000105194843
- 40 10 01 42u -> 48u 0.000002920225 0.000091977174
- 41 01 01 42u -> 48u 0.000056985818 -0.000036182830
- 42 10 10 42u -> 48u -0.000150991546 -0.000088077632
- 43 00 11 41d -> 48u 0.000133521281 0.000051160104
- 44 00 11 42d -> 48u -0.000418965071 0.000197170565
- 45 11 00 41u -> 45d 0.000945193770 0.000834698827
- 46 11 00 42u -> 45d 0.000277860826 0.000574590329
- 47 01 10 41d -> 45d 0.000026280288 -0.000359151569
- 48 10 01 41d -> 45d 0.000067829689 0.000475546283
- 49 01 01 41d -> 45d 0.000475241964 0.000051261659
- 50 10 10 41d -> 45d -0.000371144938 0.000017459385
- 51 01 10 42d -> 45d -0.000000178858 -0.000327632382
- 52 10 01 42d -> 45d 0.000004699863 0.000246955692
- 53 01 01 42d -> 45d 0.000284944902 0.000006654830
- 54 10 10 42d -> 45d -0.000298366206 0.000001946961
- 55 11 00 41u -> 46d -0.000480681512 -0.000141096975
- 56 11 00 42u -> 46d -0.000926701253 -0.001800087742
- 57 01 10 41d -> 46d -0.000254389953 -0.000004339865
- 58 10 01 41d -> 46d -0.000213674434 -0.000145436873
- 59 01 01 41d -> 46d -0.000086636855 -0.000067841519
- 60 10 10 41d -> 46d -0.000009441959 -0.000150740477
- 61 01 10 42d -> 46d 0.000028756843 0.001067080286
- 62 10 01 42d -> 46d -0.000014439248 -0.000733005614
- 63 01 01 42d -> 46d -0.000825056891 0.000039853625
- 64 10 10 42d -> 46d 0.001024579646 0.000145384109
- 65 11 00 41u -> 47d 0.000164048708 -0.000006746190
- 66 11 00 42u -> 47d 0.000349071953 0.000729731243
- 67 01 10 41d -> 47d -0.000108076608 0.000073883417
- 68 10 01 41d -> 47d -0.000104625341 0.000067136889
- 69 01 01 41d -> 47d 0.000054656599 -0.000102057715
- 70 10 10 41d -> 47d 0.000021880236 -0.000087843632
- 71 01 10 42d -> 47d 0.000004034187 -0.000394833337
- 72 10 01 42d -> 47d 0.000045446849 0.000334894807
- 73 01 01 42d -> 47d 0.000385443101 0.000021835676
- 74 10 10 42d -> 47d -0.000355935728 -0.000016778192
- 75 11 00 41u -> 48d 0.000133521281 -0.000051160104
- 76 11 00 42u -> 48d -0.000418965071 -0.000197170565
- 77 01 10 41d -> 48d -0.000205626767 0.000051235041
- 78 10 01 41d -> 48d -0.000198316262 0.000000074731
- 79 01 01 41d -> 48d 0.000040736279 -0.000119560542
- 80 10 10 41d -> 48d 0.000037295114 -0.000130678457
- 81 01 10 42d -> 48d -0.000002920225 0.000091977174
- 82 10 01 42d -> 48d 0.000056058023 -0.000105194843
- 83 01 01 42d -> 48d -0.000056985818 -0.000036182830
- 84 10 10 42d -> 48d 0.000150991546 -0.000088077632
- 85 11 10 41u -> 0.000018556013 -0.000220628484
- 86 11 01 41u -> -0.000088859574 0.000080559183
- 87 11 10 42u -> -0.000069600946 0.000299210442
- 88 11 01 42u -> -0.000025007361 0.000115543502
- 89 10 11 41d -> 0.000018556013 0.000220628484
- 90 01 11 41d -> -0.000088859574 -0.000080559183
- 91 10 11 42d -> -0.000069600946 -0.000299210442
- 92 01 11 42d -> -0.000025007361 -0.000115543502
- 93 11 10 41u 42u -> 45u 0.000167089142 -0.000271979939
- 94 11 01 41u 42u -> 45u 0.000252618190 -0.000135351685
- 95 10 11 41u 41d -> 45u 0.000229904044 -0.001289364204
- 96 01 11 41u 41d -> 45u -0.001326162147 0.000402132816
- 97 10 11 41u 42d -> 45u 0.000474555426 0.000224186734
- 98 01 11 41u 42d -> 45u 0.000173078936 0.000431367615
- 99 10 11 42u 41d -> 45u 0.000299545254 -0.000047793221
- 100 01 11 42u 41d -> 45u -0.000081183509 0.000296015917
- 101 10 11 42u 42d -> 45u 0.000187663270 -0.000053133045
- 102 01 11 42u 42d -> 45u -0.000082679717 0.000200376853
- 103 11 10 41u 42u -> 46u 0.000861015241 -0.000480523634
- 104 11 01 41u 42u -> 46u 0.000376688360 -0.000796500757
- 105 10 11 41u 41d -> 46u 0.000122119337 -0.001538112512
- 106 01 11 41u 41d -> 46u -0.001564081746 0.000313773296
- 107 10 11 41u 42d -> 46u 0.000430873659 0.000549815210
- 108 01 11 41u 42d -> 46u 0.000465605049 0.000392691202
- 109 10 11 42u 41d -> 46u -0.000395590474 0.000069291738
- 110 01 11 42u 41d -> 46u 0.000124237167 -0.000403809366
- 111 10 11 42u 42d -> 46u 0.000222003819 0.000037040758
- 112 01 11 42u 42d -> 46u 0.000027905461 0.000194379234
- 113 11 10 41u 42u -> 47u -0.000092223807 0.000318847158
- 114 11 01 41u 42u -> 47u -0.000307660625 0.000051973672
- 115 10 11 41u 41d -> 47u -0.000179147172 -0.000276202556
- 116 01 11 41u 41d -> 47u -0.000257441958 -0.000135871335
- 117 10 11 41u 42d -> 47u 0.000345091925 -0.000013464384
- 118 01 11 41u 42d -> 47u -0.000052637350 0.000331146408
- 119 10 11 42u 41d -> 47u 0.000430238637 0.000305382832
- 120 01 11 42u 41d -> 47u 0.000253962332 0.000383120115
- 121 10 11 42u 42d -> 47u -0.000201973835 -0.000063415766
- 122 01 11 42u 42d -> 47u -0.000044298847 -0.000185375452
- 123 11 10 41u 42u -> 48u -0.000307471576 0.000705500597
- 124 11 01 41u 42u -> 48u -0.000669629342 0.000214642011
- 125 10 11 41u 41d -> 48u -0.000158924466 -0.000640459333
- 126 01 11 41u 41d -> 48u -0.000629862102 -0.000080613646
- 127 10 11 41u 42d -> 48u 0.000175078636 0.000571381022
- 128 01 11 41u 42d -> 48u 0.000536430050 0.000112099232
- 129 10 11 42u 41d -> 48u 0.000494328959 0.001276881658
- 130 01 11 42u 41d -> 48u 0.001219205986 0.000326741268
- 131 10 11 42u 42d -> 48u -0.000603127847 -0.000729318706
- 132 01 11 42u 42d -> 48u -0.000638726928 -0.000519627046
- 133 11 10 41u 41d -> 45d -0.000229904044 -0.001289364204
- 134 11 01 41u 41d -> 45d 0.001326162147 0.000402132816
- 135 11 10 41u 42d -> 45d -0.000299545254 -0.000047793221
- 136 11 01 41u 42d -> 45d 0.000081183509 0.000296015917
- 137 11 10 42u 41d -> 45d -0.000474555426 0.000224186734
- 138 11 01 42u 41d -> 45d -0.000173078936 0.000431367615
- 139 11 10 42u 42d -> 45d -0.000187663270 -0.000053133045
- 140 11 01 42u 42d -> 45d 0.000082679717 0.000200376853
- 141 10 11 41d 42d -> 45d 0.000167089142 0.000271979939
- 142 01 11 41d 42d -> 45d 0.000252618190 0.000135351685
- 143 11 10 41u 41d -> 46d -0.000122119337 -0.001538112512
- 144 11 01 41u 41d -> 46d 0.001564081746 0.000313773296
- 145 11 10 41u 42d -> 46d 0.000395590474 0.000069291738
- 146 11 01 41u 42d -> 46d -0.000124237167 -0.000403809366
- 147 11 10 42u 41d -> 46d -0.000430873659 0.000549815210
- 148 11 01 42u 41d -> 46d -0.000465605049 0.000392691202
- 149 11 10 42u 42d -> 46d -0.000222003819 0.000037040758
- 150 11 01 42u 42d -> 46d -0.000027905461 0.000194379234
- 151 10 11 41d 42d -> 46d 0.000861015241 0.000480523634
- 152 01 11 41d 42d -> 46d 0.000376688360 0.000796500757
- 153 11 10 41u 41d -> 47d 0.000179147172 -0.000276202556
- 154 11 01 41u 41d -> 47d 0.000257441958 -0.000135871335
- 155 11 10 41u 42d -> 47d -0.000430238637 0.000305382832
- 156 11 01 41u 42d -> 47d -0.000253962332 0.000383120115
- 157 11 10 42u 41d -> 47d -0.000345091925 -0.000013464384
- 158 11 01 42u 41d -> 47d 0.000052637350 0.000331146408
- 159 11 10 42u 42d -> 47d 0.000201973835 -0.000063415766
- 160 11 01 42u 42d -> 47d 0.000044298847 -0.000185375452
- 161 10 11 41d 42d -> 47d -0.000092223807 -0.000318847158
- 162 01 11 41d 42d -> 47d -0.000307660625 -0.000051973672
- 163 11 10 41u 41d -> 48d 0.000158924466 -0.000640459333
- 164 11 01 41u 41d -> 48d 0.000629862102 -0.000080613646
- 165 11 10 41u 42d -> 48d -0.000494328959 0.001276881658
- 166 11 01 41u 42d -> 48d -0.001219205986 0.000326741268
- 167 11 10 42u 41d -> 48d -0.000175078636 0.000571381022
- 168 11 01 42u 41d -> 48d -0.000536430050 0.000112099232
- 169 11 10 42u 42d -> 48d 0.000603127847 -0.000729318706
- 170 11 01 42u 42d -> 48d 0.000638726928 -0.000519627046
- 171 10 11 41d 42d -> 48d -0.000307471576 -0.000705500597
- 172 01 11 41d 42d -> 48d -0.000669629342 -0.000214642011
- 173 00 01 -> 45u 0.000007203964 0.000059303491
- 174 00 10 -> 45u 0.000019755149 -0.000027857062
- 175 00 01 -> 46u 0.000006966187 0.000231573776
- 176 00 10 -> 46u 0.000014552720 0.000005996020
- 177 00 01 -> 47u -0.000003898257 0.000088141991
- 178 00 10 -> 47u 0.000002529804 0.000000324642
- 179 00 01 -> 48u 0.000001166661 0.000165142624
- 180 00 10 -> 48u 0.000011324849 0.000145709417
- 181 01 00 -> 45d 0.000007203964 -0.000059303491
- 182 10 00 -> 45d 0.000019755149 0.000027857062
- 183 01 00 -> 46d 0.000006966187 -0.000231573776
- 184 10 00 -> 46d 0.000014552720 -0.000005996020
- 185 01 00 -> 47d -0.000003898257 -0.000088141991
- 186 10 00 -> 47d 0.000002529804 -0.000000324642
- 187 01 00 -> 48d 0.000001166661 -0.000165142624
- 188 10 00 -> 48d 0.000011324849 -0.000145709417
+ 5 01 10 41u -> 45u 0.000067829689 0.000475546283
+ 6 10 01 41u -> 45u 0.000026280288 -0.000359151569
+ 7 01 01 41u -> 45u 0.000475241964 0.000051261659
+ 8 10 10 41u -> 45u -0.000371144938 0.000017459385
+ 9 01 10 42u -> 45u 0.000004699863 0.000246955692
+ 10 10 01 42u -> 45u -0.000000178858 -0.000327632382
+ 11 01 01 42u -> 45u 0.000284944902 0.000006654830
+ 12 10 10 42u -> 45u -0.000298366206 0.000001946961
+ 13 00 11 41d -> 45u -0.000945193770 -0.000834698827
+ 14 00 11 42d -> 45u -0.000277860826 -0.000574590329
+ 15 01 10 41u -> 46u -0.000213674434 -0.000145436873
+ 16 10 01 41u -> 46u -0.000254389953 -0.000004339865
+ 17 01 01 41u -> 46u -0.000086636855 -0.000067841519
+ 18 10 10 41u -> 46u -0.000009441959 -0.000150740477
+ 19 01 10 42u -> 46u -0.000014439248 -0.000733005614
+ 20 10 01 42u -> 46u 0.000028756843 0.001067080286
+ 21 01 01 42u -> 46u -0.000825056891 0.000039853625
+ 22 10 10 42u -> 46u 0.001024579646 0.000145384109
+ 23 00 11 41d -> 46u 0.000480681512 0.000141096975
+ 24 00 11 42d -> 46u 0.000926701253 0.001800087742
+ 25 01 10 41u -> 47u -0.000104625341 0.000067136889
+ 26 10 01 41u -> 47u -0.000108076608 0.000073883417
+ 27 01 01 41u -> 47u 0.000054656599 -0.000102057715
+ 28 10 10 41u -> 47u 0.000021880236 -0.000087843632
+ 29 01 10 42u -> 47u 0.000045446849 0.000334894807
+ 30 10 01 42u -> 47u 0.000004034187 -0.000394833337
+ 31 01 01 42u -> 47u 0.000385443101 0.000021835676
+ 32 10 10 42u -> 47u -0.000355935728 -0.000016778192
+ 33 00 11 41d -> 47u -0.000164048708 0.000006746190
+ 34 00 11 42d -> 47u -0.000349071953 -0.000729731243
+ 35 01 10 41u -> 48u -0.000198316262 0.000000074731
+ 36 10 01 41u -> 48u -0.000205626767 0.000051235041
+ 37 01 01 41u -> 48u 0.000040736279 -0.000119560542
+ 38 10 10 41u -> 48u 0.000037295114 -0.000130678457
+ 39 01 10 42u -> 48u 0.000056058023 -0.000105194843
+ 40 10 01 42u -> 48u -0.000002920225 0.000091977174
+ 41 01 01 42u -> 48u -0.000056985818 -0.000036182830
+ 42 10 10 42u -> 48u 0.000150991546 -0.000088077632
+ 43 00 11 41d -> 48u -0.000133521281 0.000051160104
+ 44 00 11 42d -> 48u 0.000418965071 0.000197170565
+ 45 11 00 41u -> 45d -0.000945193770 0.000834698827
+ 46 11 00 42u -> 45d -0.000277860826 0.000574590329
+ 47 01 10 41d -> 45d -0.000026280288 -0.000359151569
+ 48 10 01 41d -> 45d -0.000067829689 0.000475546283
+ 49 01 01 41d -> 45d -0.000475241964 0.000051261659
+ 50 10 10 41d -> 45d 0.000371144938 0.000017459385
+ 51 01 10 42d -> 45d 0.000000178858 -0.000327632382
+ 52 10 01 42d -> 45d -0.000004699863 0.000246955692
+ 53 01 01 42d -> 45d -0.000284944902 0.000006654830
+ 54 10 10 42d -> 45d 0.000298366206 0.000001946961
+ 55 11 00 41u -> 46d 0.000480681512 -0.000141096975
+ 56 11 00 42u -> 46d 0.000926701253 -0.001800087742
+ 57 01 10 41d -> 46d 0.000254389953 -0.000004339865
+ 58 10 01 41d -> 46d 0.000213674434 -0.000145436873
+ 59 01 01 41d -> 46d 0.000086636855 -0.000067841519
+ 60 10 10 41d -> 46d 0.000009441959 -0.000150740477
+ 61 01 10 42d -> 46d -0.000028756843 0.001067080286
+ 62 10 01 42d -> 46d 0.000014439248 -0.000733005614
+ 63 01 01 42d -> 46d 0.000825056891 0.000039853625
+ 64 10 10 42d -> 46d -0.001024579646 0.000145384109
+ 65 11 00 41u -> 47d -0.000164048708 -0.000006746190
+ 66 11 00 42u -> 47d -0.000349071953 0.000729731243
+ 67 01 10 41d -> 47d 0.000108076608 0.000073883417
+ 68 10 01 41d -> 47d 0.000104625341 0.000067136889
+ 69 01 01 41d -> 47d -0.000054656599 -0.000102057715
+ 70 10 10 41d -> 47d -0.000021880236 -0.000087843632
+ 71 01 10 42d -> 47d -0.000004034187 -0.000394833337
+ 72 10 01 42d -> 47d -0.000045446849 0.000334894807
+ 73 01 01 42d -> 47d -0.000385443101 0.000021835676
+ 74 10 10 42d -> 47d 0.000355935728 -0.000016778192
+ 75 11 00 41u -> 48d -0.000133521281 -0.000051160104
+ 76 11 00 42u -> 48d 0.000418965071 -0.000197170565
+ 77 01 10 41d -> 48d 0.000205626767 0.000051235041
+ 78 10 01 41d -> 48d 0.000198316262 0.000000074731
+ 79 01 01 41d -> 48d -0.000040736279 -0.000119560542
+ 80 10 10 41d -> 48d -0.000037295114 -0.000130678457
+ 81 01 10 42d -> 48d 0.000002920225 0.000091977174
+ 82 10 01 42d -> 48d -0.000056058023 -0.000105194843
+ 83 01 01 42d -> 48d 0.000056985818 -0.000036182830
+ 84 10 10 42d -> 48d -0.000150991546 -0.000088077632
+ 85 11 10 41u -> -0.000018556013 -0.000220628484
+ 86 11 01 41u -> 0.000088859574 0.000080559183
+ 87 11 10 42u -> 0.000069600946 0.000299210442
+ 88 11 01 42u -> 0.000025007361 0.000115543502
+ 89 10 11 41d -> -0.000018556013 0.000220628484
+ 90 01 11 41d -> 0.000088859574 -0.000080559183
+ 91 10 11 42d -> 0.000069600946 -0.000299210442
+ 92 01 11 42d -> 0.000025007361 -0.000115543502
+ 93 11 10 41u 42u -> 45u -0.000167089142 -0.000271979939
+ 94 11 01 41u 42u -> 45u -0.000252618190 -0.000135351685
+ 95 10 11 41u 41d -> 45u -0.000229904044 -0.001289364204
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189 11 11 41u 41d -> 0.000000000000 -0.001232442196
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- 191 11 11 42u 41d -> -0.000415718785 0.000342561613
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192 11 11 42u 42d -> -0.000000000000 0.000087661482
@@ -370,41 +369,41 @@ Contains 1 determinants
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40 40 2.0000000000000000 2.0000000000000000
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@@ -413,20 +412,20 @@ Contains 1 determinants
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@@ -437,7 +436,6 @@ Contains 1 determinants
Dens spin : non zero terms
- 41 41 -0.0000294536007922 -0.0000324369223896
Dens up : non zero terms
@@ -481,56 +479,56 @@ Contains 1 determinants
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@@ -538,9 +536,9 @@ Contains 1 determinants
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@@ -588,65 +586,65 @@ Contains 1 determinants
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45 46 0.0000012259474954 0.0000008123422691
46 46 0.0000069085116043 0.0000090541468962
47 46 -0.0000009157150686 -0.0000018122088407
48 46 0.0000011940445731 0.0000012263672119
41 47 0.0000024294128456 0.0000036975548848
- 42 47 -0.0000293077490107 -0.0000216609283159
- 43 47 -0.0000026306321059 0.0000073973943020
+ 42 47 -0.0000293077490112 -0.0000216609283154
+ 43 47 -0.0000026306321059 0.0000073973943021
44 47 -0.0000018128344144 0.0000617961347346
45 47 0.0000009119982419 0.0000010422854413
46 47 -0.0000009157150686 -0.0000018122088407
47 47 0.0000010679636819 0.0000014246051075
48 47 0.0000009781250983 0.0000009387569843
41 48 0.0000051036582406 0.0000141320061919
- 42 48 -0.0000417982611810 -0.0000354497550652
- 43 48 0.0000011501976490 -0.0000890771076295
+ 42 48 -0.0000417982611809 -0.0000354497550654
+ 43 48 0.0000011501976489 -0.0000890771076295
44 48 -0.0000081333268696 0.0001287914757824
45 48 0.0000006785337964 0.0000004856472556
46 48 0.0000011940445731 0.0000012263672119
@@ -658,5 +656,5 @@ Contains 1 determinants
<<< End of prop code >>>
- Calculation finished in CPUtime 0.02s Walltime: 0.01s
- Calculation finished on 02-02-2022 at 11:32
+ Calculation finished in CPUtime 0.01s Walltime: 0.01s
+ Calculation finished on 03-02-2022 at 09:50
diff --git a/test/CuO_02204/test_prop b/test/CuO_02204/test_prop
index ac70afdf..ed2db539 100644
--- a/test/CuO_02204/test_prop
+++ b/test/CuO_02204/test_prop
@@ -16,7 +16,10 @@ f.add(string = ' 41 41',
abs_tolerance = 1.0e-10)
f.add(string = '45 42',
- abs_tolerance = 1.0e-6)
+ abs_tolerance = 1.0e-10)
+
+f.add(string = '45 47',
+ abs_tolerance = 1.0e-10)
test.run(['cuo.input'], {'propout': f}, prop=True)
diff --git a/test/CuO_03450/result/cuo.propout b/test/CuO_03450/result/cuo.propout
new file mode 100644
index 00000000..4d61be42
--- /dev/null
+++ b/test/CuO_03450/result/cuo.propout
@@ -0,0 +1,27576 @@
+ ***********************************************
+
+ Programme PROPRIETES du SASS
+
+ ***********************************************
+ DEBUG VersionT
+ Calculation started on 03-02-2022 at 09:50
+
+ >>> Method sas+s
+ >>> Ouverture des fichiers
+propo : cuo.propout
+ bdet : cuo.bdet
+ sass : cuo.sass
+resta : cuo.restart
+ ref0 : cuo.ref0
+ 1 : 1010 0101
+ 2 : 1100 1010
+ 3 : 1100 0110
+ 4 : 1010 0110
+ 5 : 1100 1001
+ 6 : 1100 0101
+ 7 : 1001 0101
+ 8 : 1001 1010
+ 9 : 1001 0011
+ 10 : 1010 0011
+ 11 : 0101 0011
+ 12 : 0101 0110
+ 13 : 0011 0110
+ 14 : 1100 1100
+ 15 : 1010 1010
+ 16 : 1001 1001
+ 17 : 0110 0110
+ 18 : 0101 0101
+ 19 : 0011 0011
+
+ >>> Generation of all determinants
+ Ref0: 1 Couches fermees : 0 - 0000 0000 Ref0: 1 Couches ouvertes: 4 - 1111 0000
+ Ref0: 2 Couches fermees : 1 - 1000 0000 Ref0: 2 Couches ouvertes: 2 - 0110 0000
+ Ref0: 3 Couches fermees : 1 - 0100 0000 Ref0: 3 Couches ouvertes: 2 - 1010 0000
+ Ref0: 4 Couches fermees : 1 - 0010 0000 Ref0: 4 Couches ouvertes: 2 - 1100 0000
+ Ref0: 5 Couches fermees : 1 - 1000 0000 Ref0: 5 Couches ouvertes: 2 - 0101 0000
+ Ref0: 6 Couches fermees : 1 - 0100 0000 Ref0: 6 Couches ouvertes: 2 - 1001 0000
+ Ref0: 7 Couches fermees : 1 - 0001 0000 Ref0: 7 Couches ouvertes: 2 - 1100 0000
+ Ref0: 8 Couches fermees : 1 - 1000 0000 Ref0: 8 Couches ouvertes: 2 - 0011 0000
+ Ref0: 9 Couches fermees : 1 - 0001 0000 Ref0: 9 Couches ouvertes: 2 - 1010 0000
+ Ref0: 10 Couches fermees : 1 - 0010 0000 Ref0: 10 Couches ouvertes: 2 - 1001 0000
+ Ref0: 11 Couches fermees : 1 - 0001 0000 Ref0: 11 Couches ouvertes: 2 - 0110 0000
+ Ref0: 12 Couches fermees : 1 - 0100 0000 Ref0: 12 Couches ouvertes: 2 - 0011 0000
+ Ref0: 13 Couches fermees : 1 - 0010 0000 Ref0: 13 Couches ouvertes: 2 - 0101 0000
+ Ref0: 14 Couches fermees : 2 - 1100 0000 Ref0: 14 Couches ouvertes: 0 - 0000 0000
+ Ref0: 15 Couches fermees : 2 - 1010 0000 Ref0: 15 Couches ouvertes: 0 - 0000 0000
+ Ref0: 16 Couches fermees : 2 - 1001 0000 Ref0: 16 Couches ouvertes: 0 - 0000 0000
+ Ref0: 17 Couches fermees : 2 - 0110 0000 Ref0: 17 Couches ouvertes: 0 - 0000 0000
+ Ref0: 18 Couches fermees : 2 - 0101 0000 Ref0: 18 Couches ouvertes: 0 - 0000 0000
+ Ref0: 19 Couches fermees : 2 - 0011 0000 Ref0: 19 Couches ouvertes: 0 - 0000 0000
+
+ Nbre de conf d'espace unique : 19
+ Ref0 irr: 1 Couches fermees : 0 - 0000 Ref0 irr: 1 Couches ouvertes: 4 - 1111
+ Ref0 irr: 2 Couches fermees : 1 - 1000 Ref0 irr: 2 Couches ouvertes: 2 - 0110
+ Ref0 irr: 3 Couches fermees : 1 - 0100 Ref0 irr: 3 Couches ouvertes: 2 - 1010
+ Ref0 irr: 4 Couches fermees : 1 - 0010 Ref0 irr: 4 Couches ouvertes: 2 - 1100
+ Ref0 irr: 5 Couches fermees : 1 - 1000 Ref0 irr: 5 Couches ouvertes: 2 - 0101
+ Ref0 irr: 6 Couches fermees : 1 - 0100 Ref0 irr: 6 Couches ouvertes: 2 - 1001
+ Ref0 irr: 7 Couches fermees : 1 - 0001 Ref0 irr: 7 Couches ouvertes: 2 - 1100
+ Ref0 irr: 8 Couches fermees : 1 - 1000 Ref0 irr: 8 Couches ouvertes: 2 - 0011
+ Ref0 irr: 9 Couches fermees : 1 - 0001 Ref0 irr: 9 Couches ouvertes: 2 - 1010
+ Ref0 irr: 10 Couches fermees : 1 - 0010 Ref0 irr: 10 Couches ouvertes: 2 - 1001
+ Ref0 irr: 11 Couches fermees : 1 - 0001 Ref0 irr: 11 Couches ouvertes: 2 - 0110
+ Ref0 irr: 12 Couches fermees : 1 - 0100 Ref0 irr: 12 Couches ouvertes: 2 - 0011
+ Ref0 irr: 13 Couches fermees : 1 - 0010 Ref0 irr: 13 Couches ouvertes: 2 - 0101
+ Ref0 irr: 14 Couches fermees : 2 - 1100 Ref0 irr: 14 Couches ouvertes: 0 - 0000
+ Ref0 irr: 15 Couches fermees : 2 - 1010 Ref0 irr: 15 Couches ouvertes: 0 - 0000
+ Ref0 irr: 16 Couches fermees : 2 - 1001 Ref0 irr: 16 Couches ouvertes: 0 - 0000
+ Ref0 irr: 17 Couches fermees : 2 - 0110 Ref0 irr: 17 Couches ouvertes: 0 - 0000
+ Ref0 irr: 18 Couches fermees : 2 - 0101 Ref0 irr: 18 Couches ouvertes: 0 - 0000
+ Ref0 irr: 19 Couches fermees : 2 - 0011 Ref0 irr: 19 Couches ouvertes: 0 - 0000
+ Nbre de det Ref0 final : 36
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0011 1100
+0101 1010
+0110 1001
+1001 0110
+1010 0101
+1100 0011
+ Matrix to be diagonalised
+ 2.000000 1.000000 1.000000 1.000000 1.000000 0.000000
+ 1.000000 2.000000 1.000000 1.000000 0.000000 1.000000
+ 1.000000 1.000000 2.000000 0.000000 1.000000 1.000000
+ 1.000000 1.000000 0.000000 2.000000 1.000000 1.000000
+ 1.000000 0.000000 1.000000 1.000000 2.000000 1.000000
+ 0.000000 1.000000 1.000000 1.000000 1.000000 2.000000
+ Valeurs pp de S2
+ 0.000000000000 0.000000000000 2.000000000000 2.000000000000 2.000000000000 6.000000000000
+
+ Nbre de conf S, Sz 2
+ -0.000000 0.577350
+ -0.500000 -0.288675
+ 0.500000 -0.288675
+ 0.500000 -0.288675
+ -0.500000 -0.288675
+ 0.000000 0.577350
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0010 0100
+0100 0010
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0010 1000
+1000 0010
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0100 1000
+1000 0100
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0001 0100
+0100 0001
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0001 1000
+1000 0001
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0100 1000
+1000 0100
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0001 0010
+0010 0001
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0010 1000
+1000 0010
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0001 1000
+1000 0001
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0010 0100
+0100 0010
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0001 0010
+0010 0001
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ --------------------------------------------
+ Entree dans diag_S2 pour les etats :
+0001 0100
+0100 0001
+ Matrix to be diagonalised
+ 1.000000 1.000000
+ 1.000000 1.000000
+ Valeurs pp de S2
+ 0.000000000000 2.000000000000
+
+ Nbre de conf S, Sz 1
+ -0.707107
+ 0.707107
+ --------------------------------------------
+
+ Ref0 finaux
+ 1 : 0011 1100
+ 2 : 0101 1010
+ 3 : 0110 1001
+ 4 : 1001 0110
+ 5 : 1010 0101
+ 6 : 1100 0011
+ 7 : 1010 1100
+ 8 : 1100 1010
+ 9 : 0110 1100
+ 10 : 1100 0110
+ 11 : 0110 1010
+ 12 : 1010 0110
+ 13 : 1001 1100
+ 14 : 1100 1001
+ 15 : 0101 1100
+ 16 : 1100 0101
+ 17 : 0101 1001
+ 18 : 1001 0101
+ 19 : 1001 1010
+ 20 : 1010 1001
+ 21 : 0011 1001
+ 22 : 1001 0011
+ 23 : 0011 1010
+ 24 : 1010 0011
+ 25 : 0011 0101
+ 26 : 0101 0011
+ 27 : 0101 0110
+ 28 : 0110 0101
+ 29 : 0011 0110
+ 30 : 0110 0011
+ 31 : 1100 1100
+ 32 : 1010 1010
+ 33 : 1001 1001
+ 34 : 0110 0110
+ 35 : 0101 0101
+ 36 : 0011 0011
+ Nbre de det Ref1 (debug) : 11160
+ Nbre de det Ref1 CAS -> CAS : 0
+ Nbre de det Ref1 ligo-> CAS : 144
+ Nbre de det Ref1 CAS -> ligv: 240
+ Nbre de det Ref1 ligo-> ligv: 1080
+ Nbre de det Ref1 ligo-> ligv + ech : 480
+ Nbre de det Ref1 ligo-> ligv tot: 1560
+ Ref1 Cas -> Cas : 1 -> 0
+===
+Active determinant list R_-2
+Contains 28 determinants
+ 0 2 -2
+ 16 6 6
+===
+Active determinant list R_-1
+Contains 56 determinants
+ 1 -1 3 -3
+ 24 24 4 4
+===
+Active determinant list R_0
+Contains 70 determinants
+ 0 2 -2 4 -4
+ 36 16 16 1 1
+===
+Active determinant list R_1
+Contains 56 determinants
+ 1 -1 3 -3
+ 24 24 4 4
+===
+Active determinant list R_2
+Contains 28 determinants
+ 0 2 -2
+ 16 6 6
+ >>> Generation of D0
+ Estimated nb of det. 70
+ Nb of determinants in D 0 = 36
+ >>> Determinant block D0 generated in 0.00 second(s)
+ >>> Generation of D1
+ Estimated nb of det. 4200
+ Nb of determinants in D 1 = 1560
+ >>> Determinant block D1 generated in 0.00 second(s)
+ >>> Generation of D2
+ Estimated nb of det. 252000
+ Nb of determinants in D 2 = 15600
+ >>> Determinant block D2 generated in 0.00 second(s)
+ >>> Generation of D11
+ Estimated nb of det. 336
+ Nb of determinants in D 11 = 144
+ >>> Determinant block D11 generated in 0.00 second(s)
+ >>> Generation of D12
+ Estimated nb of det. 20160
+ Nb of determinants in D 12 = 3000
+ >>> Determinant block D12 generated in 0.00 second(s)
+ >>> Generation of D-11
+ Estimated nb of det. 560
+ Nb of determinants in D-11 = 240
+ >>> Determinant block D-11 generated in 0.00 second(s)
+ >>> Generation of D-12
+ Estimated nb of det. 33600
+ Nb of determinants in D-12 = 5280
+ >>> Determinant block D-12 generated in 0.00 second(s)
+ >>> Generation of D20
+ Estimated nb of det. 1008
+ Nb of determinants in D 20 = 180
+ >>> Determinant block D20 generated in 0.00 second(s)
+ >>> Generation of D-20
+ Estimated nb of det. 2800
+ Nb of determinants in D-20 = 520
+ >>> Determinant block D-20 generated in 0.00 second(s)
+ Total Nb of determinant 26560
+ >>>Determinants generated in 5.9956999999999989E-002 second(s)
+
+ >>> Reading determinants in file bdet
+
+ >>> Reading vectors from file restart
+ Vectors read from file
+ Nbre of vectors read = 2
+ Nbre of determinants = 26560
+ Nbre of converged vectors = 2
+ Last iteration = 10
+ Nuclear potential energy = -449.56085922003842
+ Core electrons energy = -9.9490081179067946
+
+ >>> Vectors projection on active space
+ Vect 1 2
+ Ener -462.54739502 -462.54732720
+ Pcas 0.99800078 0.99799391
+
+0011 1100 0.00051426 0.00023963
+0101 1010 -0.00054301 -0.00046445
+0110 1001 -0.00034351 -0.00070251
+1001 0110 0.00034351 -0.00070251
+1010 0101 0.00054301 -0.00046445
+1100 0011 -0.00051426 0.00023963
+1010 1100 -0.70639762 0.08753062
+1100 1010 0.70639762 0.08753062
+0110 1100 0.00029318 -0.00055716
+1100 0110 -0.00029318 -0.00055716
+0110 1010 0.00026011 -0.00029077
+1010 0110 -0.00026011 -0.00029077
+1001 1100 0.00003837 -0.00011366
+1100 1001 -0.00003837 -0.00011366
+0101 1100 0.00036072 0.00053306
+1100 0101 -0.00036072 0.00053306
+0101 1001 -0.00032971 -0.00038204
+1001 0101 0.00032971 -0.00038204
+1001 1010 0.00011506 0.00003671
+1010 1001 -0.00011506 0.00003671
+0011 1001 -0.00033803 -0.00028095
+1001 0011 0.00033803 -0.00028095
+0011 1010 -0.00035381 -0.00052039
+1010 0011 0.00035381 -0.00052039
+0011 0101 0.00118994 -0.00014749
+0101 0011 -0.00118994 -0.00014749
+0101 0110 -0.00019293 0.00008146
+0110 0101 0.00019293 0.00008146
+0011 0110 0.00010879 -0.00020808
+0110 0011 -0.00010879 -0.00020808
+1100 1100 0.00000000 -0.70793887
+1010 1010 -0.00000000 0.69389221
+1001 1001 -0.00000000 0.00000312
+0110 0110 0.00000000 -0.00007989
+0101 0101 -0.00000000 0.00119139
+0011 0011 0.00000000 -0.00117072
+
+ >>> Active space projection in CPU time 0.00s, Wall time 0.00 s
+
+ >>> Total WFs
+ 1 0011 1100 -> 0.000514256860 0.000239631106
+ 2 0101 1010 -> -0.000543008071 -0.000464454869
+ 3 0110 1001 -> -0.000343507987 -0.000702509066
+ 4 1001 0110 -> 0.000343507987 -0.000702509066
+ 5 1010 0101 -> 0.000543008071 -0.000464454869
+ 6 1100 0011 -> -0.000514256860 0.000239631106
+ 7 1010 1100 -> -0.706397622701 0.087530621400
+ 8 1100 1010 -> 0.706397622701 0.087530621402
+ 9 0110 1100 -> 0.000293176208 -0.000557164275
+ 10 1100 0110 -> -0.000293176208 -0.000557164275
+ 11 0110 1010 -> 0.000260112963 -0.000290773025
+ 12 1010 0110 -> -0.000260112963 -0.000290773025
+ 13 1001 1100 -> 0.000038374075 -0.000113659815
+ 14 1100 1001 -> -0.000038374075 -0.000113659815
+ 15 0101 1100 -> 0.000360724460 0.000533057319
+ 16 1100 0101 -> -0.000360724460 0.000533057319
+ 17 0101 1001 -> -0.000329708260 -0.000382042190
+ 18 1001 0101 -> 0.000329708260 -0.000382042190
+ 19 1001 1010 -> 0.000115063745 0.000036706184
+ 20 1010 1001 -> -0.000115063745 0.000036706184
+ 21 0011 1001 -> -0.000338028845 -0.000280945199
+ 22 1001 0011 -> 0.000338028845 -0.000280945199
+ 23 0011 1010 -> -0.000353812976 -0.000520389546
+ 24 1010 0011 -> 0.000353812976 -0.000520389546
+ 25 0011 0101 -> 0.001189941768 -0.000147486588
+ 26 0101 0011 -> -0.001189941768 -0.000147486588
+ 27 0101 0110 -> -0.000192927893 0.000081462713
+ 28 0110 0101 -> 0.000192927893 0.000081462713
+ 29 0011 0110 -> 0.000108793421 -0.000208084814
+ 30 0110 0011 -> -0.000108793421 -0.000208084814
+ 31 1100 1100 -> 0.000000000001 -0.707938865891
+ 32 1010 1010 -> -0.000000000001 0.693892212966
+ 33 1001 1001 -> -0.000000000000 0.000003124195
+ 34 0110 0110 -> 0.000000000000 -0.000079893427
+ 35 0101 0101 -> -0.000000000000 0.001191388316
+ 36 0011 0011 -> 0.000000000000 -0.001170722850
+ 37 0011 1100 39u -> 46u -0.000959441134 0.000129341078
+ 38 0101 1010 39u -> 46u 0.000953381973 0.000107775051
+ 39 0110 1001 39u -> 46u -0.000012717141 0.000005405393
+ 40 1001 0110 39u -> 46u -0.000002949655 -0.000011931093
+ 41 1010 0101 39u -> 46u -0.000617902405 0.000084518929
+ 42 1100 0011 39u -> 46u 0.000618999387 0.000069417732
+ 43 1010 1100 39u -> 46u -0.000316254348 0.000243611425
+ 44 1100 1010 39u -> 46u 0.000386204569 -0.000208093862
+ 45 0110 1100 39u -> 46u -0.000463797733 0.000549297779
+ 46 1100 0110 39u -> 46u 0.000164776865 -0.000070339039
+ 47 0110 1010 39u -> 46u -0.000483975660 0.000390458754
+ 48 1010 0110 39u -> 46u -0.000104867439 0.000188570272
+ 49 1001 1100 39u -> 46u -0.000303402400 0.000288676602
+ 50 1100 1001 39u -> 46u 0.000020094317 0.000194014184
+ 51 0101 1100 39u -> 46u 0.000009977228 -0.000958264122
+ 52 1100 0101 39u -> 46u 0.000006686365 -0.000620072387
+ 53 0101 1001 39u -> 46u -0.000000546279 0.000007123845
+ 54 1001 0101 39u -> 46u -0.000006149328 0.000013178845
+ 55 1001 1010 39u -> 46u -0.000246533004 0.000263927006
+ 56 1010 1001 39u -> 46u 0.000186653346 -0.000002610021
+ 57 0011 1001 39u -> 46u 0.000007603986 -0.000001191868
+ 58 1001 0011 39u -> 46u -0.000013264514 0.000003331001
+ 59 0011 1010 39u -> 46u -0.000011954999 0.000940776086
+ 60 1010 0011 39u -> 46u -0.000008901537 0.000606430332
+ 61 0011 0101 39u -> 46u 0.000001110305 0.000000146925
+ 62 0101 0011 39u -> 46u -0.000000704614 -0.000001159623
+ 63 0101 0110 39u -> 46u 0.000009516319 0.000010844409
+ 64 0110 0101 39u -> 46u -0.000010300136 0.000012941024
+ 65 0011 0110 39u -> 46u 0.000010983797 0.000006887349
+ 66 0110 0011 39u -> 46u -0.000011937283 0.000008647492
+ 67 1100 1100 39u -> 46u 0.000209999211 -0.000417712002
+ 68 1010 1010 39u -> 46u -0.000252367211 0.000277035276
+ 69 1001 1001 39u -> 46u 0.000002474020 0.000003282339
+ 70 0110 0110 39u -> 46u -0.000003881469 0.000004573887
+ 71 0101 0101 39u -> 46u 0.000001181727 0.000000842823
+ 72 0011 0011 39u -> 46u -0.000000280646 -0.000000819030
+ 73 0011 1100 40u -> 46u 0.000386573563 -0.000043898853
+ 74 0101 1010 40u -> 46u -0.000390665874 -0.000053768828
+ 75 0110 1001 40u -> 46u -0.000000303246 -0.000000397594
+ 76 1001 0110 40u -> 46u 0.000000641419 -0.000002119038
+ 77 1010 0101 40u -> 46u 0.000076019761 -0.000003942618
+ 78 1100 0011 40u -> 46u -0.000075207788 -0.000011353293
+ 79 1010 1100 40u -> 46u 0.000179416356 0.000018412740
+ 80 1100 1010 40u -> 46u -0.000323591179 0.000033112395
+ 81 0110 1100 40u -> 46u -0.000236785468 0.000278200177
+ 82 1100 0110 40u -> 46u 0.000117155867 0.000223999055
+ 83 0110 1010 40u -> 46u -0.000251466079 0.000197219534
+ 84 1010 0110 40u -> 46u 0.000195661261 0.000102787933
+ 85 1001 1100 40u -> 46u -0.000458989915 0.000384291522
+ 86 1100 1001 40u -> 46u 0.000043131966 0.000021339363
+ 87 0101 1100 40u -> 46u 0.000005862857 0.000389761918
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+ 1865 1100 1001 39u 40u -> 46u 48u 0.000000703226 0.000000175571
+ 1866 0101 1100 39u 40u -> 46u 48u 0.000001959700 -0.000001448625
+ 1867 1100 0101 39u 40u -> 46u 48u -0.000000246114 -0.000002315952
+ 1868 0101 1001 39u 40u -> 46u 48u 0.000000596985 0.000000188503
+ 1869 1001 0101 39u 40u -> 46u 48u 0.000001320058 -0.000002202308
+ 1870 1001 1010 39u 40u -> 46u 48u -0.000007798474 0.000010659254
+ 1871 1010 1001 39u 40u -> 46u 48u 0.000000608642 0.000001375987
+ 1872 0011 1001 39u 40u -> 46u 48u 0.000000127811 0.000000538745
+ 1873 1001 0011 39u 40u -> 46u 48u 0.000001972200 -0.000001111058
+ 1874 0011 1010 39u 40u -> 46u 48u -0.000000901325 -0.000000417356
+ 1875 1010 0011 39u 40u -> 46u 48u 0.000000553020 0.000001799867
+ 1876 0011 0101 39u 40u -> 46u 48u -0.000001519055 0.000000250439
+ 1877 0101 0011 39u 40u -> 46u 48u 0.000001590834 0.000000057838
+ 1878 0101 0110 39u 40u -> 46u 48u -0.000000867512 -0.000001725998
+ 1879 0110 0101 39u 40u -> 46u 48u 0.000000249144 0.000000001561
+ 1880 0011 0110 39u 40u -> 46u 48u -0.000001476586 -0.000000785079
+ 1881 0110 0011 39u 40u -> 46u 48u -0.000000038866 -0.000000251454
+ 1882 1100 1100 39u 40u -> 46u 48u -0.000007034376 -0.000297362079
+ 1883 1010 1010 39u 40u -> 46u 48u 0.000002603965 0.000291161837
+ 1884 1001 1001 39u 40u -> 46u 48u 0.000000155149 0.000000534529
+ 1885 0110 0110 39u 40u -> 46u 48u -0.000000153443 -0.000000379006
+ 1886 0101 0101 39u 40u -> 46u 48u 0.000000145584 -0.000001611063
+ 1887 0011 0011 39u 40u -> 46u 48u -0.000000059636 0.000001491575
+ 1888 0011 1100 39u 41u -> 46u 48u -0.000007211753 0.000000685445
+ 1889 0101 1010 39u 41u -> 46u 48u 0.000009900800 0.000000201729
+ 1890 0110 1001 39u 41u -> 46u 48u -0.000000519621 -0.000000013205
+ 1891 1001 0110 39u 41u -> 46u 48u 0.000000549140 -0.000000077977
+ 1892 1010 0101 39u 41u -> 46u 48u -0.000004261879 0.000000439946
+ 1893 1100 0011 39u 41u -> 46u 48u 0.000004524962 -0.000000233582
+ 1894 1010 1100 39u 41u -> 46u 48u -0.000519075283 0.000061109906
+ 1895 1100 1010 39u 41u -> 46u 48u 0.000519468686 0.000066942369
+ 1896 0110 1100 39u 41u -> 46u 48u -0.000016789951 0.000012015441
+ 1897 1100 0110 39u 41u -> 46u 48u 0.000006696821 0.000008753297
+ 1898 0110 1010 39u 41u -> 46u 48u -0.000010693056 0.000015870241
+ 1899 1010 0110 39u 41u -> 46u 48u 0.000008599738 0.000005218039
+ 1900 1001 1100 39u 41u -> 46u 48u -0.000000043787 0.000001386488
+ 1901 1100 1001 39u 41u -> 46u 48u 0.000003518440 0.000002016491
+ 1902 0101 1100 39u 41u -> 46u 48u 0.000000943399 -0.000009677943
+ 1903 1100 0101 39u 41u -> 46u 48u 0.000000126036 -0.000004720876
+ 1904 0101 1001 39u 41u -> 46u 48u -0.000000323591 -0.000000242479
+ 1905 1001 0101 39u 41u -> 46u 48u 0.000000204677 -0.000000306414
+ 1906 1001 1010 39u 41u -> 46u 48u -0.000001504029 -0.000000045860
+ 1907 1010 1001 39u 41u -> 46u 48u 0.000001598941 0.000004160806
+ 1908 0011 1001 39u 41u -> 46u 48u -0.000000171515 -0.000000301812
+ 1909 1001 0011 39u 41u -> 46u 48u 0.000000236719 -0.000000233164
+ 1910 0011 1010 39u 41u -> 46u 48u 0.000000110381 0.000007508697
+ 1911 1010 0011 39u 41u -> 46u 48u -0.000000608806 0.000004056593
+ 1912 0011 0101 39u 41u -> 46u 48u 0.000000511695 -0.000000060311
+ 1913 0101 0011 39u 41u -> 46u 48u -0.000000451147 -0.000000116009
+ 1914 0101 0110 39u 41u -> 46u 48u -0.000000843863 -0.000001452041
+ 1915 0110 0101 39u 41u -> 46u 48u 0.000000477760 0.000000263111
+ 1916 0011 0110 39u 41u -> 46u 48u -0.000001190607 -0.000000808134
+ 1917 0110 0011 39u 41u -> 46u 48u -0.000000323029 -0.000000505933
+ 1918 1100 1100 39u 41u -> 46u 48u -0.000003234424 -0.000518957788
+ 1919 1010 1010 39u 41u -> 46u 48u 0.000002810479 0.000511251307
+ 1920 1001 1001 39u 41u -> 46u 48u 0.000000182887 0.000000594566
+ 1921 0110 0110 39u 41u -> 46u 48u -0.000000583750 0.000000059257
+ 1922 0101 0101 39u 41u -> 46u 48u 0.000000064024 0.000000456731
+ 1923 0011 0011 39u 41u -> 46u 48u -0.000000000655 -0.000000493470
+ 1924 0011 1100 40u 41u -> 46u 48u -0.000001972536 -0.000000931499
+ 1925 0101 1010 40u 41u -> 46u 48u 0.000000210879 0.000000855045
+ 1926 0110 1001 40u 41u -> 46u 48u 0.000000560745 0.000000125958
+ 1927 1001 0110 40u 41u -> 46u 48u -0.000001989591 0.000001726739
+ 1928 1010 0101 40u 41u -> 46u 48u -0.000001142086 0.000000080626
+ 1929 1100 0011 40u 41u -> 46u 48u 0.000000817342 -0.000000092218
+ 1930 1010 1100 40u 41u -> 46u 48u -0.000452649022 0.000047778915
+ 1931 1100 1010 40u 41u -> 46u 48u 0.000454528784 0.000066667482
+ 1932 0110 1100 40u 41u -> 46u 48u 0.000006743141 0.000002484959
+ 1933 1100 0110 40u 41u -> 46u 48u -0.000004096868 0.000000239573
+ 1934 0110 1010 40u 41u -> 46u 48u -0.000003843502 -0.000007134697
+ 1935 1010 0110 40u 41u -> 46u 48u -0.000000293809 -0.000003881386
+ 1936 1001 1100 40u 41u -> 46u 48u 0.000005285934 -0.000003545665
+ 1937 1100 1001 40u 41u -> 46u 48u 0.000000112946 -0.000000233893
+ 1938 0101 1100 40u 41u -> 46u 48u -0.000000845688 -0.000000038798
+ 1939 1100 0101 40u 41u -> 46u 48u 0.000000225173 -0.000000869662
+ 1940 0101 1001 40u 41u -> 46u 48u 0.000000085201 -0.000000616408
+ 1941 1001 0101 40u 41u -> 46u 48u -0.000001238873 0.000000682490
+ 1942 1001 1010 40u 41u -> 46u 48u 0.000002714195 -0.000004602269
+ 1943 1010 1001 40u 41u -> 46u 48u 0.000000033416 0.000000482336
+ 1944 0011 1001 40u 41u -> 46u 48u -0.000000611341 0.000000165472
+ 1945 1001 0011 40u 41u -> 46u 48u -0.000000552012 0.000001137831
+ 1946 0011 1010 40u 41u -> 46u 48u 0.000001189358 0.000002108311
+ 1947 1010 0011 40u 41u -> 46u 48u 0.000000061348 0.000001080947
+ 1948 0011 0101 40u 41u -> 46u 48u 0.000001403077 -0.000000175611
+ 1949 0101 0011 40u 41u -> 46u 48u -0.000001449568 -0.000000160570
+ 1950 0101 0110 40u 41u -> 46u 48u -0.000000264924 -0.000000102248
+ 1951 0110 0101 40u 41u -> 46u 48u -0.000000447405 -0.000000065984
+ 1952 0011 0110 40u 41u -> 46u 48u -0.000000133179 -0.000000306552
+ 1953 0110 0011 40u 41u -> 46u 48u 0.000000182904 0.000000513860
+ 1954 1100 1100 40u 41u -> 46u 48u -0.000011544300 -0.000452400661
+ 1955 1010 1010 40u 41u -> 46u 48u 0.000007965652 0.000447037125
+ 1956 1001 1001 40u 41u -> 46u 48u 0.000000473837 -0.000000246020
+ 1957 0110 0110 40u 41u -> 46u 48u 0.000001322170 0.000002222570
+ 1958 0101 0101 40u 41u -> 46u 48u 0.000000006247 0.000001468962
+ 1959 0011 0011 40u 41u -> 46u 48u 0.000000026203 -0.000001369699
+ 1960 0001 1110 39u 39d -> 46u 48u 0.000000396869 -0.000002336400
+ 1961 0010 1101 39u 39d -> 46u 48u 0.000009417814 -0.000002163326
+ 1962 0100 1011 39u 39d -> 46u 48u -0.000009424841 0.000000019423
+ 1963 0100 1110 39u 39d -> 46u 48u -0.000002776938 -0.000005535487
+ 1964 0010 1110 39u 39d -> 46u 48u -0.000005528923 -0.000001096867
+ 1965 0100 1101 39u 39d -> 46u 48u -0.000001349122 0.000009528933
+ 1966 0001 1101 39u 39d -> 46u 48u 0.000002285692 0.000000221219
+ 1967 0001 1011 39u 39d -> 46u 48u -0.000000483698 -0.000002288566
+ 1968 0010 1011 39u 39d -> 46u 48u 0.000000917874 -0.000009216166
+ 1969 0100 0111 39u 39d -> 46u 48u 0.000000361076 0.000000154248
+ 1970 0001 0111 39u 39d -> 46u 48u -0.000000264687 0.000000317601
+ 1971 0010 0111 39u 39d -> 46u 48u 0.000000242226 0.000000230807
+ 1972 1000 1011 39u 39d -> 46u 48u 0.000007976581 0.000001457111
+ 1973 1000 1110 39u 39d -> 46u 48u 0.000056525642 0.000008529685
+ 1974 1000 1101 39u 39d -> 46u 48u -0.000000520403 -0.000008156561
+ 1975 1000 0111 39u 39d -> 46u 48u 0.000000440435 -0.000000153599
+ 1976 0001 1110 39u 40d -> 46u 48u 0.000000961435 -0.000000913566
+ 1977 0010 1101 39u 40d -> 46u 48u -0.000006849580 0.000000016895
+ 1978 0100 1011 39u 40d -> 46u 48u 0.000006157936 0.000002540574
+ 1979 0100 1110 39u 40d -> 46u 48u -0.000002952772 0.000003403895
+ 1980 0010 1110 39u 40d -> 46u 48u 0.000003450965 -0.000002908538
+ 1981 0100 1101 39u 40d -> 46u 48u -0.000002056449 -0.000005901214
+ 1982 0001 1101 39u 40d -> 46u 48u 0.000002428085 -0.000001111028
+ 1983 0001 1011 39u 40d -> 46u 48u 0.000000782103 -0.000002262332
+ 1984 0010 1011 39u 40d -> 46u 48u 0.000000641252 0.000006849589
+ 1985 0100 0111 39u 40d -> 46u 48u 0.000000197618 0.000001153652
+ 1986 0001 0111 39u 40d -> 46u 48u -0.000000089330 0.000000136399
+ 1987 0010 0111 39u 40d -> 46u 48u 0.000001130979 0.000000057947
+ 1988 1000 1011 39u 40d -> 46u 48u 0.000002863218 -0.000000862976
+ 1989 1000 1110 39u 40d -> 46u 48u 0.000011380474 0.000004385501
+ 1990 1000 1101 39u 40d -> 46u 48u 0.000001589132 -0.000003168460
+ 1991 1000 0111 39u 40d -> 46u 48u -0.000000795904 0.000001478098
+ 1992 0001 1110 39u 41d -> 46u 48u 0.000000071404 -0.000000555115
+ 1993 0010 1101 39u 41d -> 46u 48u 0.000005026540 -0.000000477706
+ 1994 0100 1011 39u 41d -> 46u 48u -0.000005843876 -0.000000279665
+ 1995 0100 1110 39u 41d -> 46u 48u -0.000003639312 0.000002085794
+ 1996 0010 1110 39u 41d -> 46u 48u 0.000002201218 -0.000003257364
+ 1997 0100 1101 39u 41d -> 46u 48u -0.000000628098 0.000005685217
+ 1998 0001 1101 39u 41d -> 46u 48u 0.000001095642 0.000000258686
+ 1999 0001 1011 39u 41d -> 46u 48u -0.000000400366 -0.000001126764
+ 2000 0010 1011 39u 41d -> 46u 48u -0.000000310582 -0.000005156930
+ 2001 0100 0111 39u 41d -> 46u 48u 0.000000302454 0.000000922488
+ 2002 0001 0111 39u 41d -> 46u 48u -0.000000091891 0.000000132484
+ 2003 0010 0111 39u 41d -> 46u 48u 0.000000875699 0.000000179250
+ 2004 1000 1011 39u 41d -> 46u 48u 0.000003448307 0.000002740763
+ 2005 1000 1110 39u 41d -> 46u 48u 0.000022239114 0.000000778449
+ 2006 1000 1101 39u 41d -> 46u 48u -0.000002229929 -0.000003362805
+ 2007 1000 0111 39u 41d -> 46u 48u -0.000000381753 -0.000000076753
+ 2008 0001 1110 40u 39d -> 46u 48u -0.000000049364 -0.000000083723
+ 2009 0010 1101 40u 39d -> 46u 48u -0.000004861990 0.000001361507
+ 2010 0100 1011 40u 39d -> 46u 48u 0.000004957434 0.000000316592
+ 2011 0100 1110 40u 39d -> 46u 48u 0.000000477338 0.000002528779
+ 2012 0010 1110 40u 39d -> 46u 48u 0.000002246274 0.000000061908
+ 2013 0100 1101 40u 39d -> 46u 48u 0.000000327143 -0.000005034129
+ 2014 0001 1101 40u 39d -> 46u 48u 0.000000440526 0.000001279536
+ 2015 0001 1011 40u 39d -> 46u 48u -0.000001362841 -0.000000612708
+ 2016 0010 1011 40u 39d -> 46u 48u -0.000000773017 0.000004633042
+ 2017 0100 0111 40u 39d -> 46u 48u -0.000000575464 -0.000000574104
+ 2018 0001 0111 40u 39d -> 46u 48u -0.000000111693 0.000000329058
+ 2019 0010 0111 40u 39d -> 46u 48u -0.000000415374 -0.000000475466
+ 2020 1000 1011 40u 39d -> 46u 48u -0.000004640652 0.000008420938
+ 2021 1000 1110 40u 39d -> 46u 48u 0.000010882126 -0.000006013478
+ 2022 1000 1101 40u 39d -> 46u 48u -0.000009594257 0.000005846286
+ 2023 1000 0111 40u 39d -> 46u 48u 0.000000291101 -0.000000993928
+ 2024 0001 1110 40u 40d -> 46u 48u -0.000001049006 0.000001529549
+ 2025 0010 1101 40u 40d -> 46u 48u -0.000009157421 0.000004210347
+ 2026 0100 1011 40u 40d -> 46u 48u 0.000008662149 -0.000001742728
+ 2027 0100 1110 40u 40d -> 46u 48u 0.000002529956 -0.000001751792
+ 2028 0010 1110 40u 40d -> 46u 48u -0.000002195787 0.000002879858
+ 2029 0100 1101 40u 40d -> 46u 48u 0.000003066708 -0.000009285846
+ 2030 0001 1101 40u 40d -> 46u 48u 0.000000891542 0.000002681470
+ 2031 0001 1011 40u 40d -> 46u 48u -0.000002798664 -0.000001223520
+ 2032 0010 1011 40u 40d -> 46u 48u -0.000003002848 0.000008416315
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+ 2036 1000 1011 40u 40d -> 46u 48u 0.000003859116 0.000000077817
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+ 2039 1000 0111 40u 40d -> 46u 48u 0.000002600621 -0.000004426298
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+ 2041 0010 1101 40u 41d -> 46u 48u 0.000001515400 0.000000693222
+ 2042 0100 1011 40u 41d -> 46u 48u -0.000001046032 -0.000000728073
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+ 2054 1000 1101 40u 41d -> 46u 48u -0.000008641871 0.000005186526
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+ 2136 0110 0011 39u 40u -> 47u 48u 0.000001311283 0.000002262612
+ 2137 1100 1100 39u 40u -> 47u 48u 0.000005841174 0.000362942808
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+ 2151 0110 1100 39u 41u -> 47u 48u -0.000009441902 0.000011638792
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+ 4273 1010 1100 39u 41d -> 46u 46d -0.000113439316 0.000017428503
+ 4274 1100 1010 39u 41d -> 46u 46d 0.000112820721 0.000013819438
+ 4275 0110 1100 39u 41d -> 46u 46d 0.000013555979 -0.000011795919
+ 4276 1100 0110 39u 41d -> 46u 46d -0.000018806451 -0.000012567480
+ 4277 0110 1010 39u 41d -> 46u 46d 0.000010057784 -0.000012455758
+ 4278 1010 0110 39u 41d -> 46u 46d -0.000011453656 -0.000017258583
+ 4279 1001 1100 39u 41d -> 46u 46d 0.000009021143 -0.000007597125
+ 4280 1100 1001 39u 41d -> 46u 46d -0.000008574768 -0.000007266568
+ 4281 0101 1100 39u 41d -> 46u 46d -0.000000414130 0.000004608924
+ 4282 1100 0101 39u 41d -> 46u 46d 0.000000186046 0.000006770680
+ 4283 0101 1001 39u 41d -> 46u 46d 0.000001128114 0.000000136256
+ 4284 1001 0101 39u 41d -> 46u 46d -0.000000885353 -0.000001180116
+ 4285 1001 1010 39u 41d -> 46u 46d 0.000006583569 -0.000007983997
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+ 4289 0011 1010 39u 41d -> 46u 46d -0.000000082738 -0.000003491799
+ 4290 1010 0011 39u 41d -> 46u 46d 0.000000401372 -0.000005865074
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+ 4292 0101 0011 39u 41d -> 46u 46d 0.000003824443 0.000000464989
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+ 4297 1100 1100 39u 41d -> 46u 46d 0.000001615578 -0.000117353622
+ 4298 1010 1010 39u 41d -> 46u 46d -0.000001650769 0.000107001958
+ 4299 1001 1001 39u 41d -> 46u 46d 0.000000586473 0.000000531026
+ 4300 0110 0110 39u 41d -> 46u 46d 0.000000029607 0.000000778988
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+ 4302 0011 0011 39u 41d -> 46u 46d 0.000000013281 0.000003772845
+ 4303 0011 1100 40u 39d -> 46u 46d -0.000018976078 0.000002307461
+ 4304 0101 1010 40u 39d -> 46u 46d 0.000018738638 0.000002097688
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+ 4308 1100 0011 40u 39d -> 46u 46d 0.000003511374 0.000000722309
+ 4309 1010 1100 40u 39d -> 46u 46d -0.000340475163 0.000037623514
+ 4310 1100 1010 40u 39d -> 46u 46d 0.000338541569 0.000045378787
+ 4311 0110 1100 40u 39d -> 46u 46d -0.000001690977 -0.000013514309
+ 4312 1100 0110 40u 39d -> 46u 46d -0.000001577082 0.000000238981
+ 4313 0110 1010 40u 39d -> 46u 46d 0.000014641483 0.000003626640
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+ 4316 1100 1001 40u 39d -> 46u 46d -0.000004082141 0.000000566753
+ 4317 0101 1100 40u 39d -> 46u 46d -0.000000517705 -0.000018793486
+ 4318 1100 0101 40u 39d -> 46u 46d -0.000000425266 -0.000003500190
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+ 4347 0110 1100 40u 40d -> 46u 46d 0.000001030457 0.000004940216
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+ 4373 0101 0101 40u 40d -> 46u 46d 0.000000000000 -0.000013685729
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+ 4382 1100 1010 40u 41d -> 46u 46d -0.000609156344 -0.000078521742
+ 4383 0110 1100 40u 41d -> 46u 46d -0.000012426592 -0.000005580117
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+ 4385 0110 1010 40u 41d -> 46u 46d 0.000007892375 0.000013965297
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+ 4389 0101 1100 40u 41d -> 46u 46d -0.000000874271 -0.000012975694
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+ 4404 0110 0011 40u 41d -> 46u 46d 0.000002527983 0.000002384738
+ 4405 1100 1100 40u 41d -> 46u 46d 0.000001214848 0.000610974871
+ 4406 1010 1010 40u 41d -> 46u 46d 0.000001524555 -0.000591033663
+ 4407 1001 1001 40u 41d -> 46u 46d 0.000000175367 0.000000770031
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+ 4417 1010 1100 41u 39d -> 46u 46d -0.000112820721 0.000013819438
+ 4418 1100 1010 41u 39d -> 46u 46d 0.000113439316 0.000017428503
+ 4419 0110 1100 41u 39d -> 46u 46d 0.000018806451 -0.000012567480
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+ 4421 0110 1010 41u 39d -> 46u 46d 0.000011453656 -0.000017258583
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+ 4442 1010 1010 41u 39d -> 46u 46d 0.000001650769 0.000107001958
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+ 8811 1011 1000 40u 41u -> 47u 48d 0.000000337143 0.000001001412
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+ 8813 1101 1000 40u 41u -> 47u 48d 0.000000789252 0.000000137474
+ 8814 0111 1000 40u 41u -> 47u 48d 0.000000725154 0.000000318987
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+ 8822 1100 1010 39u 39d -> 47u 48d -0.002432810144 -0.000315514985
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+ 8824 1100 0110 39u 39d -> 47u 48d -0.000055409373 -0.000047333204
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+ 8826 1010 0110 39u 39d -> 47u 48d -0.000042062016 -0.000047971917
+ 8827 1001 1100 39u 39d -> 47u 48d 0.000003164359 -0.000021428470
+ 8828 1100 1001 39u 39d -> 47u 48d -0.000005672049 -0.000009009217
+ 8829 0101 1100 39u 39d -> 47u 48d -0.000000760212 0.000043448668
+ 8830 1100 0101 39u 39d -> 47u 48d 0.000000790341 0.000051670114
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+ 8900 1100 1001 39u 41d -> 47u 48d -0.000002273379 -0.000000135295
+ 8901 0101 1100 39u 41d -> 47u 48d 0.000000434218 0.000009276857
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+ 8904 1001 0101 39u 41d -> 47u 48d 0.000000128342 -0.000001278983
+ 8905 1001 1010 39u 41d -> 47u 48d 0.000005590744 0.000002275092
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+ 8908 1001 0011 39u 41d -> 47u 48d 0.000001273648 0.000000017650
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+ 8917 1100 1100 39u 41d -> 47u 48d 0.000010876100 0.000062969786
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+ 8930 1100 1010 40u 39d -> 47u 48d -0.000496437398 -0.000071401078
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+ 8936 1100 1001 40u 39d -> 47u 48d -0.000002144051 0.000002832770
+ 8937 0101 1100 40u 39d -> 47u 48d -0.000000806874 0.000000466087
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+ 11493 0101 1100 40u 40d -> 48u 49d -0.000000260257 -0.000011269376
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+ 11509 1100 1100 40u 40d -> 48u 49d -0.000003337741 -0.000395980126
+ 11510 1010 1010 40u 40d -> 48u 49d 0.000001938844 0.000387934774
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+ 11522 1100 1010 40u 41d -> 48u 49d -0.000895924078 -0.000110268384
+ 11523 0110 1100 40u 41d -> 48u 49d -0.000000623376 0.000002031456
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+ 11528 1100 1001 40u 41d -> 48u 49d 0.000003215162 0.000003007358
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+ 11530 1100 0101 40u 41d -> 48u 49d 0.000000517691 0.000004399350
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+ 11558 1100 1010 41u 39d -> 48u 49d -0.000125185754 -0.000014621989
+ 11559 0110 1100 41u 39d -> 48u 49d 0.000005474860 0.000003922862
+ 11560 1100 0110 41u 39d -> 48u 49d 0.000005455943 0.000003019886
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+ 11565 0101 1100 41u 39d -> 48u 49d -0.000000063175 0.000002726008
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+ 11594 1100 1010 41u 40d -> 48u 49d -0.000570497458 -0.000068910983
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+ 11601 0101 1100 41u 40d -> 48u 49d -0.000000604975 0.000002483299
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+ 14809 1100 0101 39d 40d -> 46d 47d 0.000001648958 0.000009805087
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+ dens : cuo.dens
+
+
+
+ <<< End of prop code >>>
+
+ Calculation finished in CPUtime 39.94s Walltime: 40.18s
+ Calculation finished on 03-02-2022 at 09:50
diff --git a/test/CuO_03450/test_prop b/test/CuO_03450/test_prop
new file mode 100644
index 00000000..ed2db539
--- /dev/null
+++ b/test/CuO_03450/test_prop
@@ -0,0 +1,26 @@
+#!/usr/bin/env python
+
+import os
+import sys
+
+sys.path.append(os.path.join(os.path.dirname(__file__), '..', '..'))
+sys.path.append(os.path.join(os.path.dirname(__file__), '..'))
+
+from runtest_relaxse import Filter, TestRun
+
+test = TestRun(__file__, sys.argv)
+
+f = Filter()
+
+f.add(string = ' 41 41',
+ abs_tolerance = 1.0e-10)
+
+f.add(string = '45 42',
+ abs_tolerance = 1.0e-10)
+
+f.add(string = '45 47',
+ abs_tolerance = 1.0e-10)
+
+test.run(['cuo.input'], {'propout': f}, prop=True)
+
+sys.exit(test.return_code)
--
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