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Grompp error for mismatching nst for energy calulation and densityfitting
[alexxy/gromacs.git]
/
src
/
gromacs
/
applied_forces
/
densityfittingoptions.cpp
2019-09-23
Christian Blau
Grompp error for mismatching nst for energy calulation...
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2019-09-22
Christian Blau
Add cross-correlation as density simlarity measure
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2019-09-19
Christian Blau
Consistently change densityfitting spreading weight...
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2019-09-11
Christian Blau
Add comments to grompp generated .mdp output for densit...
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2019-09-11
Christian Blau
Densityfitting write int64_t indices instead of gmx...
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2019-09-09
Christian Blau
Add option to normalize densities prior to density...
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2019-09-09
Christian Blau
Adding every N-steps option to densityfitting
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2019-09-05
Christian Blau
Add reference density file option to densityfitting
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2019-08-27
Christian Blau
Add density fitting parameters
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2019-08-27
Christian Blau
Add index group option to density fitting
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-15
Christian Blau
Move densityfitting options and output into seperate...
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biod.pnpi.spb.ru / alexxy / gromacs.git / history