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MolarVerse
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PQ
https://molarverse.github.io/PQ/
GNU General Public License v3.0
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integration tests
#26
97gamjak
closed
16 hours ago
0
reference manual
#25
97gamjak
opened
8 months ago
0
make engine.run routine
#24
97gamjak
closed
1 year ago
0
rename outputdata
#23
97gamjak
closed
1 year ago
0
implement momentum calculation
#22
97gamjak
closed
1 year ago
0
implement trajscan
#21
97gamjak
opened
1 year ago
0
implement guffcheck
#20
97gamjak
opened
1 year ago
0
implement forcefield
#19
97gamjak
closed
9 months ago
0
implement quantum thermostat
#18
97gamjak
opened
1 year ago
0
implement equipartition thermostat
#17
97gamjak
opened
1 year ago
0
implement nose hoover thermostat
#16
97gamjak
closed
9 months ago
0
implement rescaling thermostat
#15
97gamjak
closed
9 months ago
0
implement wolf
#14
97gamjak
closed
9 months ago
0
implement reaction field
#13
97gamjak
opened
1 year ago
0
implement ewald
#12
97gamjak
opened
1 year ago
0
implement mshake
#11
97gamjak
opened
1 year ago
0
implement shake
#10
97gamjak
closed
9 months ago
0
implement writing xyz vel and force file
#9
97gamjak
closed
9 months ago
0
implement writing en file
#8
97gamjak
closed
9 months ago
1
implement writing rst file
#7
97gamjak
closed
9 months ago
0
implement writing out file
#6
97gamjak
closed
9 months ago
0
implement writing info file
#5
97gamjak
closed
9 months ago
1
implement water intra
#4
97gamjak
opened
1 year ago
0
implement water inter
#3
97gamjak
opened
1 year ago
0
implement berendsen manostat
#2
97gamjak
closed
9 months ago
0
implement berendsen thermostat
#1
97gamjak
closed
1 year ago
0
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