BioD PNPI Git Repos - alexxy/gromacs.git/commit - src/gromacs/gmxpreprocess/grompp.cpp

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	Paul Bauer <paul.bauer.q@gmail.com>
	Tue, 8 Sep 2020 07:29:07 +0000 (07:29 +0000)
committer	Joe Jordan <ejjordan12@gmail.com>
	Tue, 8 Sep 2020 07:29:07 +0000 (07:29 +0000)
commit	54d52e0f05a92e7d7d889139d0c003bae388bb74
tree	6fabcdec85a08e962cb6977d0d10fc050444889c	tree \| snapshot
parent	52df2d0a898a5ed93a2002007141e98c7e41c8d7	commit \| diff

Move densityfitting to its own directory

Preparing for adding more applied_forces modules

Change-Id: Ieec20d1f0752a369d26352ec6b0997812decd21e

66 files changed:

docs/doxygen/cycle-suppressions.txt		diff \| blob \| history
src/gromacs/CMakeLists.txt		diff \| blob \| history
src/gromacs/applied_forces/CMakeLists.txt		diff \| blob \| history
src/gromacs/applied_forces/awh/CMakeLists.txt	[moved from src/gromacs/awh/CMakeLists.txt with 70% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/awh.cpp	[moved from src/gromacs/awh/awh.cpp with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/awh.h	[moved from src/gromacs/awh/awh.h with 99% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/bias.cpp	[moved from src/gromacs/awh/bias.cpp with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/bias.h	[moved from src/gromacs/awh/bias.h with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/biasgrid.cpp	[moved from src/gromacs/awh/biasgrid.cpp with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/biasgrid.h	[moved from src/gromacs/awh/biasgrid.h with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/biasparams.cpp	[moved from src/gromacs/awh/biasparams.cpp with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/biasparams.h	[moved from src/gromacs/awh/biasparams.h with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/biassharing.cpp	[moved from src/gromacs/awh/biassharing.cpp with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/biassharing.h	[moved from src/gromacs/awh/biassharing.h with 97% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/biasstate.cpp	[moved from src/gromacs/awh/biasstate.cpp with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/biasstate.h	[moved from src/gromacs/awh/biasstate.h with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/biaswriter.cpp	[moved from src/gromacs/awh/biaswriter.cpp with 99% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/biaswriter.h	[moved from src/gromacs/awh/biaswriter.h with 98% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/coordstate.cpp	[moved from src/gromacs/awh/coordstate.cpp with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/coordstate.h	[moved from src/gromacs/awh/coordstate.h with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/correlationgrid.cpp	[moved from src/gromacs/awh/correlationgrid.cpp with 98% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/correlationgrid.h	[moved from src/gromacs/awh/correlationgrid.h with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/correlationhistory.cpp	[moved from src/gromacs/awh/correlationhistory.cpp with 99% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/correlationhistory.h	[moved from src/gromacs/awh/correlationhistory.h with 97% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/correlationtensor.cpp	[moved from src/gromacs/awh/correlationtensor.cpp with 99% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/correlationtensor.h	[moved from src/gromacs/awh/correlationtensor.h with 99% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/dimparams.h	[moved from src/gromacs/awh/dimparams.h with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/histogramsize.cpp	[moved from src/gromacs/awh/histogramsize.cpp with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/histogramsize.h	[moved from src/gromacs/awh/histogramsize.h with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/pointstate.cpp	[moved from src/gromacs/awh/pointstate.cpp with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/pointstate.h	[moved from src/gromacs/awh/pointstate.h with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/read_params.cpp	[moved from src/gromacs/awh/read_params.cpp with 99% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/read_params.h	[moved from src/gromacs/awh/read_params.h with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/CMakeLists.txt	[moved from src/gromacs/awh/tests/CMakeLists.txt with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/bias.cpp	[moved from src/gromacs/awh/tests/bias.cpp with 98% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp	[moved from src/gromacs/awh/tests/bias_fep_lambda_state.cpp with 99% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/tests/biasgrid.cpp	[moved from src/gromacs/awh/tests/biasgrid.cpp with 99% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/tests/biasstate.cpp	[moved from src/gromacs/awh/tests/biasstate.cpp with 97% similarity]	diff \| blob \| history
src/gromacs/applied_forces/awh/tests/pmf_target_format0.xvg	[moved from src/gromacs/awh/tests/pmf_target_format0.xvg with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/pmf_target_format1.xvg	[moved from src/gromacs/awh/tests/pmf_target_format1.xvg with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_0.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_0.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_1.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_1.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_2.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_2.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_3.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_3.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_4.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_4.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_5.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_5.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_6.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_6.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_7.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_7.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_0.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_0.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_1.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_1.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_2.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_2.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_3.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_3.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_4.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_4.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_5.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_5.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_6.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_6.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_7.xml	[moved from src/gromacs/awh/tests/refdata/WithParameters_BiasTest_ForcesBiasPmf_7.xml with 100% similarity]	blob \| history
src/gromacs/applied_forces/densityfitting/tests/CMakeLists.txt		diff \| blob \| history
src/gromacs/applied_forces/densityfitting/tests/densityfittingforceprovider.cpp	[moved from src/gromacs/applied_forces/tests/densityfittingforceprovider.cpp with 100% similarity]	diff \| blob \| history
src/gromacs/applied_forces/tests/CMakeLists.txt		diff \| blob \| history
src/gromacs/gmxpreprocess/grompp.cpp		diff \| blob \| history
src/gromacs/gmxpreprocess/readir.cpp		diff \| blob \| history
src/gromacs/mdlib/energyoutput.cpp		diff \| blob \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| history
src/gromacs/mdrun/md.cpp		diff \| blob \| history
src/gromacs/mdrun/mimic.cpp		diff \| blob \| history
src/gromacs/mdrun/rerun.cpp		diff \| blob \| history

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