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MDANSE
Commit 46e9c0c1 authored by eric pellegrini's avatar eric pellegrini
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repopulate MDANSE

parent aa87f555
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MDANSE/Data/Atoms/ac 0 → 100644
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name = "actinium"
symbol = "ac"
mass = 227.0
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MDANSE/Data/Atoms/ag 0 → 100644
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name = "silver"
symbol = "ag"
mass = 107.8682
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MDANSE/Data/Atoms/ag107 0 → 100644
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name = "silver"
symbol = "ag107"
mass = 106.905093
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MDANSE/Data/Atoms/ag109 0 → 100644
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name = "silver"
symbol = "ag109"
mass = 108.904756
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MDANSE/Data/Atoms/al 0 → 100644
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name = "aluminium"
symbol = "al"
mass = 26.98153844
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MDANSE/Data/Atoms/al27 0 → 100644
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name = "aluminium"
symbol = "al27"
mass = 26.98153844
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MDANSE/Data/Atoms/am 0 → 100644
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name = "americium"
symbol = "am"
mass = 243.0
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MDANSE/Data/Atoms/am243 0 → 100644
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name = "americium"
symbol = "am243"
mass = 243.0
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MDANSE/Data/Atoms/ar 0 → 100644
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name = "argon"
symbol = "ar"
mass = 39.948
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MDANSE/Data/Atoms/ar36 0 → 100644
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name = "argon"
symbol = "ar36"
mass = 35.96754628
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MDANSE/Data/Atoms/ar38 0 → 100644
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name = "argon"
symbol = "ar38"
mass = 37.9627322
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MDANSE/Data/Atoms/ar40 0 → 100644
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name = "argon"
symbol = "ar40"
mass = 39.96238312
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MDANSE/Data/Atoms/as 0 → 100644
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name = "arsenic"
symbol = "as"
mass = 74.9215964
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MDANSE/Data/Atoms/as75 0 → 100644
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name = "arsenic"
symbol = "as75"
mass = 74.9215964
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MDANSE/Data/Atoms/at 0 → 100644
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name = "astatine"
symbol = "at"
mass = 210.0
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MDANSE/Data/Atoms/au 0 → 100644
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name = "gold"
symbol = "au"
mass = 196.966552
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MDANSE/Data/Atoms/au197 0 → 100644
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name = "gold"
symbol = "au197"
mass = 196.966552
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MDANSE/Data/Atoms/b 0 → 100644
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name = "boron"
symbol = "b"
mass = 10.811
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MDANSE/Data/Atoms/b10 0 → 100644
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name = "boron"
symbol = "b10"
mass = 10.012937
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MDANSE/Data/Atoms/b11 0 → 100644
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name = "boron"
symbol = "b11"
mass = 11.0093055
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MDANSE/Data/Atoms/ba 0 → 100644
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name = "barium"
symbol = "ba"
mass = 137.327
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MDANSE/Data/Atoms/ba130 0 → 100644
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name = "barium"
symbol = "ba130"
mass = 129.90631
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MDANSE/Data/Atoms/ba132 0 → 100644
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name = "barium"
symbol = "ba132"
mass = 131.905056
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MDANSE/Data/Atoms/ba134 0 → 100644
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name = "barium"
symbol = "ba134"
mass = 133.904503
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MDANSE/Data/Atoms/ba135 0 → 100644
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name = "barium"
symbol = "ba135"
mass = 134.905683
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MDANSE/Data/Atoms/ba136 0 → 100644
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name = "barium"
symbol = "ba136"
mass = 135.90457
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MDANSE/Data/Atoms/ba137 0 → 100644
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name = "barium"
symbol = "ba137"
mass = 136.905821
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MDANSE/Data/Atoms/ba138 0 → 100644
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name = "barium"
symbol = "ba138"
mass = 137.905241
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MDANSE/Data/Atoms/be 0 → 100644
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name = "beryllium"
symbol = "be"
mass = 9.0121821
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MDANSE/Data/Atoms/be9 0 → 100644
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name = "beryllium"
symbol = "be9"
mass = 9.0121821
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MDANSE/Data/Atoms/bh 0 → 100644
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name = "bohrium"
symbol = "bh"
mass = 264.12473
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MDANSE/Data/Atoms/bi 0 → 100644
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name = "bismuth"
symbol = "bi"
mass = 208.980383
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MDANSE/Data/Atoms/bi209 0 → 100644
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name = "bismuth"
symbol = "bi209"
mass = 208.980383
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MDANSE/Data/Atoms/bk 0 → 100644
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name = "berkelium"
symbol = "bk"
mass = 247.0
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MDANSE/Data/Atoms/br 0 → 100644
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name = "bromine"
symbol = "br"
mass = 79.904
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MDANSE/Data/Atoms/br79 0 → 100644
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name = "bromine"
symbol = "br79"
mass = 78.9183376
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MDANSE/Data/Atoms/br81 0 → 100644
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name = "bromine"
symbol = "br81"
mass = 80.916291
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MDANSE/Data/Atoms/c 0 → 100644
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name = "carbon"
symbol = "c"
mass = 12.0107
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MDANSE/Data/Atoms/c12 0 → 100644
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name = "carbon"
symbol = "c12"
mass = 12.0
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MDANSE/Data/Atoms/c13 0 → 100644
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name = "carbon"
symbol = "c13"
mass = 13.00335484
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MDANSE/Data/Atoms/c14 0 → 100644
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name = "carbon"
symbol = "c14"
mass = 14.00324199
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MDANSE/Data/Atoms/ca 0 → 100644
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name = "calcium"
symbol = "ca"
mass = 40.078
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MDANSE/Data/Atoms/ca40 0 → 100644
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name = "calcium"
symbol = "ca40"
mass = 39.9625912
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MDANSE/Data/Atoms/ca42 0 → 100644
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name = "calcium"
symbol = "ca42"
mass = 41.9586183
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MDANSE/Data/Atoms/ca43 0 → 100644
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name = "calcium"
symbol = "ca43"
mass = 42.9587668
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MDANSE/Data/Atoms/ca44 0 → 100644
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name = "calcium"
symbol = "ca44"
mass = 43.9554811
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MDANSE/Data/Atoms/ca46 0 → 100644
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name = "calcium"
symbol = "ca46"
mass = 45.9536928
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MDANSE/Data/Atoms/ca48 0 → 100644
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name = "calcium"
symbol = "ca48"
mass = 47.952534
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MDANSE/Data/Atoms/cd 0 → 100644
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name = "cadmium"
symbol = "cd"
mass = 112.411
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MDANSE/Data/Atoms/cd1 0 → 100644
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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 0 → 100644
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name = "cadmium"
symbol = "cd106"
mass = 105.906458
\ No newline at end of file
MDANSE/Data/Atoms/cd108 0 → 100644
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name = "cadmium"
symbol = "cd108"
mass = 107.904183
\ No newline at end of file
MDANSE/Data/Atoms/cd110 0 → 100644
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name = "cadmium"
symbol = "cd110"
mass = 109.903006
\ No newline at end of file
MDANSE/Data/Atoms/cd111 0 → 100644
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name = "cadmium"
symbol = "cd111"
mass = 110.904182
\ No newline at end of file
MDANSE/Data/Atoms/cd112 0 → 100644
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name = "cadmium"
symbol = "cd112"
mass = 111.9027572
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MDANSE/Data/Atoms/cd113 0 → 100644
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name = "cadmium"
symbol = "cd113"
mass = 112.9044009
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MDANSE/Data/Atoms/cd114 0 → 100644
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name = "cadmium"
symbol = "cd114"
mass = 113.9033581
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MDANSE/Data/Atoms/cd116 0 → 100644
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name = "cadmium"
symbol = "cd116"
mass = 115.904755
\ No newline at end of file
MDANSE/Data/Atoms/cd2 0 → 100644
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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 0 → 100644
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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 0 → 100644
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name = "cerium"
symbol = "ce"
mass = 140.116
\ No newline at end of file
MDANSE/Data/Atoms/ce136 0 → 100644
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name = "cerium"
symbol = "ce136"
mass = 135.90714
\ No newline at end of file
MDANSE/Data/Atoms/ce138 0 → 100644
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name = "cerium"
symbol = "ce138"
mass = 137.905986
\ No newline at end of file
MDANSE/Data/Atoms/ce140 0 → 100644
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name = "cerium"
symbol = "ce140"
mass = 139.905434
\ No newline at end of file
MDANSE/Data/Atoms/ce142 0 → 100644
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name = "cerium"
symbol = "ce142"
mass = 141.90924
\ No newline at end of file
MDANSE/Data/Atoms/cen 0 → 100644
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name = "center"
symbol = "cen"
mass = 0.0
\ No newline at end of file
MDANSE/Data/Atoms/cf 0 → 100644
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name = "californium"
symbol = "cf"
mass = 251.0
\ No newline at end of file
MDANSE/Data/Atoms/ch 0 → 100644
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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 0 → 100644
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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 0 → 100644
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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 0 → 100644
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name = "chlorine"
symbol = "cl"