Repopulate MDANSE

MDANSE/Data/Atoms/ac

+name = "actinium"
+
+symbol = "ac"
+
+mass = 227.0
\ No newline at end of file

MDANSE/Data/Atoms/ag

+name = "silver"
+
+symbol = "ag"
+
+mass = 107.8682
\ No newline at end of file

MDANSE/Data/Atoms/ag107

+name = "silver"
+
+symbol = "ag107"
+
+mass = 106.905093
\ No newline at end of file

MDANSE/Data/Atoms/ag109

+name = "silver"
+
+symbol = "ag109"
+
+mass = 108.904756
\ No newline at end of file

MDANSE/Data/Atoms/al

+name = "aluminium"
+
+symbol = "al"
+
+mass = 26.98153844
\ No newline at end of file

MDANSE/Data/Atoms/al27

+name = "aluminium"
+
+symbol = "al27"
+
+mass = 26.98153844
\ No newline at end of file

MDANSE/Data/Atoms/am

+name = "americium"
+
+symbol = "am"
+
+mass = 243.0
\ No newline at end of file

MDANSE/Data/Atoms/am243

+name = "americium"
+
+symbol = "am243"
+
+mass = 243.0
\ No newline at end of file

MDANSE/Data/Atoms/ar

+name = "argon"
+
+symbol = "ar"
+
+mass = 39.948
\ No newline at end of file

MDANSE/Data/Atoms/ar36

+name = "argon"
+
+symbol = "ar36"
+
+mass = 35.96754628
\ No newline at end of file

MDANSE/Data/Atoms/ar38

+name = "argon"
+
+symbol = "ar38"
+
+mass = 37.9627322
\ No newline at end of file

MDANSE/Data/Atoms/ar40

+name = "argon"
+
+symbol = "ar40"
+
+mass = 39.96238312
\ No newline at end of file

MDANSE/Data/Atoms/as

+name = "arsenic"
+
+symbol = "as"
+
+mass = 74.9215964
\ No newline at end of file

MDANSE/Data/Atoms/as75

+name = "arsenic"
+
+symbol = "as75"
+
+mass = 74.9215964
\ No newline at end of file

MDANSE/Data/Atoms/at

+name = "astatine"
+
+symbol = "at"
+
+mass = 210.0
\ No newline at end of file

MDANSE/Data/Atoms/au

+name = "gold"
+
+symbol = "au"
+
+mass = 196.966552
\ No newline at end of file

MDANSE/Data/Atoms/au197

+name = "gold"
+
+symbol = "au197"
+
+mass = 196.966552
\ No newline at end of file

MDANSE/Data/Atoms/b

+name = "boron"
+
+symbol = "b"
+
+mass = 10.811
\ No newline at end of file

MDANSE/Data/Atoms/b10

+name = "boron"
+
+symbol = "b10"
+
+mass = 10.012937
\ No newline at end of file

MDANSE/Data/Atoms/b11

+name = "boron"
+
+symbol = "b11"
+
+mass = 11.0093055
\ No newline at end of file

MDANSE/Data/Atoms/ba

+name = "barium"
+
+symbol = "ba"
+
+mass = 137.327
\ No newline at end of file

MDANSE/Data/Atoms/ba130

+name = "barium"
+
+symbol = "ba130"
+
+mass = 129.90631
\ No newline at end of file

MDANSE/Data/Atoms/ba132

+name = "barium"
+
+symbol = "ba132"
+
+mass = 131.905056
\ No newline at end of file

MDANSE/Data/Atoms/ba134

+name = "barium"
+
+symbol = "ba134"
+
+mass = 133.904503
\ No newline at end of file

MDANSE/Data/Atoms/ba135

+name = "barium"
+
+symbol = "ba135"
+
+mass = 134.905683
\ No newline at end of file

MDANSE/Data/Atoms/ba136

+name = "barium"
+
+symbol = "ba136"
+
+mass = 135.90457
\ No newline at end of file

MDANSE/Data/Atoms/ba137

+name = "barium"
+
+symbol = "ba137"
+
+mass = 136.905821
\ No newline at end of file

MDANSE/Data/Atoms/ba138

+name = "barium"
+
+symbol = "ba138"
+
+mass = 137.905241
\ No newline at end of file

MDANSE/Data/Atoms/be

+name = "beryllium"
+
+symbol = "be"
+
+mass = 9.0121821
\ No newline at end of file

MDANSE/Data/Atoms/be9

+name = "beryllium"
+
+symbol = "be9"
+
+mass = 9.0121821
\ No newline at end of file

MDANSE/Data/Atoms/bh

+name = "bohrium"
+
+symbol = "bh"
+
+mass = 264.12473
\ No newline at end of file

MDANSE/Data/Atoms/bi

+name = "bismuth"
+
+symbol = "bi"
+
+mass = 208.980383
\ No newline at end of file

MDANSE/Data/Atoms/bi209

+name = "bismuth"
+
+symbol = "bi209"
+
+mass = 208.980383
\ No newline at end of file

MDANSE/Data/Atoms/bk

+name = "berkelium"
+
+symbol = "bk"
+
+mass = 247.0
\ No newline at end of file

MDANSE/Data/Atoms/br

+name = "bromine"
+
+symbol = "br"
+
+mass = 79.904
\ No newline at end of file

MDANSE/Data/Atoms/br79

+name = "bromine"
+
+symbol = "br79"
+
+mass = 78.9183376
\ No newline at end of file

MDANSE/Data/Atoms/br81

+name = "bromine"
+
+symbol = "br81"
+
+mass = 80.916291
\ No newline at end of file

MDANSE/Data/Atoms/c

+name = "carbon"
+
+symbol = "c"
+
+mass = 12.0107
\ No newline at end of file

MDANSE/Data/Atoms/c12

+name = "carbon"
+
+symbol = "c12"
+
+mass = 12.0
\ No newline at end of file

MDANSE/Data/Atoms/c13

+name = "carbon"
+
+symbol = "c13"
+
+mass = 13.00335484
\ No newline at end of file

MDANSE/Data/Atoms/c14

+name = "carbon"
+
+symbol = "c14"
+
+mass = 14.00324199
\ No newline at end of file

MDANSE/Data/Atoms/ca

+name = "calcium"
+
+symbol = "ca"
+
+mass = 40.078
\ No newline at end of file

MDANSE/Data/Atoms/ca40

+name = "calcium"
+
+symbol = "ca40"
+
+mass = 39.9625912
\ No newline at end of file

MDANSE/Data/Atoms/ca42

+name = "calcium"
+
+symbol = "ca42"
+
+mass = 41.9586183
\ No newline at end of file

MDANSE/Data/Atoms/ca43

+name = "calcium"
+
+symbol = "ca43"
+
+mass = 42.9587668
\ No newline at end of file

MDANSE/Data/Atoms/ca44

+name = "calcium"
+
+symbol = "ca44"
+
+mass = 43.9554811
\ No newline at end of file

MDANSE/Data/Atoms/ca46

+name = "calcium"
+
+symbol = "ca46"
+
+mass = 45.9536928
\ No newline at end of file

MDANSE/Data/Atoms/ca48

+name = "calcium"
+
+symbol = "ca48"
+
+mass = 47.952534
\ No newline at end of file

MDANSE/Data/Atoms/cd

+name = "cadmium"
+
+symbol = "cd"
+
+mass = 112.411
\ No newline at end of file

MDANSE/Data/Atoms/cd1

+name = 'CD1'
+symbol = 'C'
+
+atomic_number = 6 + 1
+atomic_number_deut = 6 + 1
+
+mass = 12.0110369031 + 2.014102
+mass_deut = 12.0110369031 + 2.014102
+
+color = 'black'
+
+vdW_radius = 0.17

MDANSE/Data/Atoms/cd106

+name = "cadmium"
+
+symbol = "cd106"
+
+mass = 105.906458
\ No newline at end of file

MDANSE/Data/Atoms/cd108

+name = "cadmium"
+
+symbol = "cd108"
+
+mass = 107.904183
\ No newline at end of file

MDANSE/Data/Atoms/cd110

+name = "cadmium"
+
+symbol = "cd110"
+
+mass = 109.903006
\ No newline at end of file

MDANSE/Data/Atoms/cd111

+name = "cadmium"
+
+symbol = "cd111"
+
+mass = 110.904182
\ No newline at end of file

MDANSE/Data/Atoms/cd112

+name = "cadmium"
+
+symbol = "cd112"
+
+mass = 111.9027572
\ No newline at end of file

MDANSE/Data/Atoms/cd113

+name = "cadmium"
+
+symbol = "cd113"
+
+mass = 112.9044009
\ No newline at end of file

MDANSE/Data/Atoms/cd114

+name = "cadmium"
+
+symbol = "cd114"
+
+mass = 113.9033581
\ No newline at end of file

MDANSE/Data/Atoms/cd116

+name = "cadmium"
+
+symbol = "cd116"
+
+mass = 115.904755
\ No newline at end of file

MDANSE/Data/Atoms/cd2

+name = 'CD2'
+symbol = 'C'
+
+atomic_number = 6 + 2
+atomic_number_deut = 6 + 2
+
+mass = 12.0110369031 + 2*2.014102
+mass_deut = 12.0110369031 + 2*2.014102
+
+color = 'black'
+
+vdW_radius = 0.17

MDANSE/Data/Atoms/cd3

+name = 'CD3'
+symbol = 'C'
+
+atomic_number = 6 + 3
+atomic_number_deut = 6 + 3
+
+mass = 12.0110369031 + 3*2.014102
+mass_deut = 12.0110369031 + 3*2.014102
+
+color = 'black'
+
+vdW_radius = 0.17

MDANSE/Data/Atoms/ce

+name = "cerium"
+
+symbol = "ce"
+
+mass = 140.116
\ No newline at end of file

MDANSE/Data/Atoms/ce136

+name = "cerium"
+
+symbol = "ce136"
+
+mass = 135.90714
\ No newline at end of file

MDANSE/Data/Atoms/ce138

+name = "cerium"
+
+symbol = "ce138"
+
+mass = 137.905986
\ No newline at end of file

MDANSE/Data/Atoms/ce140

+name = "cerium"
+
+symbol = "ce140"
+
+mass = 139.905434
\ No newline at end of file

MDANSE/Data/Atoms/ce142

+name = "cerium"
+
+symbol = "ce142"
+
+mass = 141.90924
\ No newline at end of file

MDANSE/Data/Atoms/cen

+name = "center"
+
+symbol = "cen"
+
+mass = 0.0
\ No newline at end of file

MDANSE/Data/Atoms/cf

+name = "californium"
+
+symbol = "cf"
+
+mass = 251.0
\ No newline at end of file

MDANSE/Data/Atoms/ch

+name = 'CH'
+symbol = 'C'
+
+atomic_number = 6 + 1
+atomic_number_deut = 6 + 1
+
+mass = 12.0110369031 + 1.00797597651
+mass_deut = 12.0110369031 + 2.014102
+
+color = 'black'
+
+vdW_radius = 0.17

MDANSE/Data/Atoms/ch2

+name = 'CH2'
+symbol = 'C'
+
+atomic_number = 6 + 2
+atomic_number_deut = 6 + 2
+
+mass = 12.0110369031 + 2*1.00797597651
+mass_deut = 12.0110369031 + 2*2.014102
+
+color = 'black'
+
+vdW_radius = 0.17

MDANSE/Data/Atoms/ch3

+name = 'CH3'
+symbol = 'C'
+
+atomic_number = 6 + 3
+atomic_number_deut = 6 + 3
+
+mass = 12.0110369031 + 3*1.00797597651
+mass_deut = 12.0110369031 + 3*2.014102
+
+color = 'black'
+
+vdW_radius = 0.17

MDANSE/Data/Atoms/cl

+name = "chlorine"
+
+symbol = "cl"
+
+mass = 35.453
\ No newline at end of file

MDANSE/Data/Atoms/cl35

+name = "chlorine"
+
+symbol = "cl35"
+
+mass = 34.96885271
\ No newline at end of file

MDANSE/Data/Atoms/cl37

+name = "chlorine"
+
+symbol = "cl37"
+
+mass = 36.9659026
\ No newline at end of file

MDANSE/Data/Atoms/cm

+name = "curium"
+
+symbol = "cm"
+
+mass = 247.0
\ No newline at end of file

MDANSE/Data/Atoms/cm244

+name = "curium"
+
+symbol = "cm244"
+
+mass = 244.0627463
\ No newline at end of file

MDANSE/Data/Atoms/cm246

+name = "curium"
+
+symbol = "cm246"
+
+mass = 246.0672176
\ No newline at end of file

MDANSE/Data/Atoms/cm248

+name = "curium"
+
+symbol = "cm248"
+
+mass = 248.072342
\ No newline at end of file

MDANSE/Data/Atoms/cn

+name = "copernicium"
+
+symbol = "cn"
+
+mass = 285.0
\ No newline at end of file

MDANSE/Data/Atoms/co

+name = "cobalt"
+
+symbol = "co"
+
+mass = 58.9332002
\ No newline at end of file

MDANSE/Data/Atoms/co59

+name = "cobalt"
+
+symbol = "co59"
+
+mass = 58.9332002
\ No newline at end of file