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commit	07369a19f453f2bfa5e96fcc833f64e7d435913d
author	Berk Hess <hess@kth.se>
	Wed, 30 Sep 2020 15:13:58 +0000 (30 15:13 +0000)
committer	Artem Zhmurov <zhmurov@gmail.com>
	Wed, 30 Sep 2020 15:13:58 +0000 (30 15:13 +0000)
tree	f2c67f080cdff13b88b5542c71ddc7a59ae1c937	tree \| snapshot (tar.gz zip)
parent	deceba34d995656a51658877b1737c7c891038e2	commit \| diff

Move computeSlowForces into stepWork

Also moved a flag into forcerec and fixed documentation.

47 files changed:

docs/user-guide/mdp-options.rst		diff \| blob \| blame \| history
src/gromacs/fileio/tpxio.cpp		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/grompp.cpp		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/readir.cpp		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/readir.h		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment.xml		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricField.xml		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldPulsed.xml		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsEmptyLines.xml		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsImplicitSolventNo.xml		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsKeyWithoutValue.xml		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsMimic.xml		diff \| blob \| blame \| history
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml		diff \| blob \| blame \| history
src/gromacs/listed_forces/gpubonded_impl.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/constr.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/force.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/force.h		diff \| blob \| blame \| history
src/gromacs/mdlib/force_flags.h		diff \| blob \| blame \| history
src/gromacs/mdlib/forcerec.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/update.cpp		diff \| blob \| blame \| history
src/gromacs/mdlib/update.h		diff \| blob \| blame \| history
src/gromacs/mdrun/md.cpp		diff \| blob \| blame \| history
src/gromacs/mdrun/shellfc.cpp		diff \| blob \| blame \| history
src/gromacs/mdtypes/CMakeLists.txt		diff \| blob \| blame \| history
src/gromacs/mdtypes/forcebuffers.cpp		diff \| blob \| blame \| history
src/gromacs/mdtypes/forcebuffers.h		diff \| blob \| blame \| history
src/gromacs/mdtypes/forcerec.h		diff \| blob \| blame \| history
src/gromacs/mdtypes/inputrec.cpp		diff \| blob \| blame \| history
src/gromacs/mdtypes/inputrec.h		diff \| blob \| blame \| history
src/gromacs/mdtypes/multipletimestepping.cpp	[new file with mode: 0644]	blob
src/gromacs/mdtypes/multipletimestepping.h	[copied from src/gromacs/mdtypes/forcebuffers.cpp with 53% similarity]	diff \| blob \| blame \| history
src/gromacs/mdtypes/simulation_workload.h		diff \| blob \| blame \| history
src/gromacs/mdtypes/tests/forcebuffers.cpp		diff \| blob \| blame \| history
src/gromacs/nbnxm/pairlist_tuning.cpp		diff \| blob \| blame \| history
src/gromacs/nbnxm/pairlistparams.cpp		diff \| blob \| blame \| history
src/gromacs/nbnxm/pairlistparams.h		diff \| blob \| blame \| history
src/gromacs/nbnxm/pairlistsets.h		diff \| blob \| blame \| history
src/gromacs/nbnxm/prunekerneldispatch.cpp		diff \| blob \| blame \| history
src/gromacs/pulling/pull.cpp		diff \| blob \| blame \| history
src/gromacs/taskassignment/decidegpuusage.cpp		diff \| blob \| blame \| history
src/gromacs/taskassignment/decidesimulationworkload.cpp		diff \| blob \| blame \| history
src/programs/mdrun/tests/CMakeLists.txt		diff \| blob \| blame \| history
src/programs/mdrun/tests/multiple_time_stepping.cpp	[new file with mode: 0644]	blob
src/programs/mdrun/tests/simulatorcomparison.cpp		diff \| blob \| blame \| history
src/programs/mdrun/tests/simulatorcomparison.h		diff \| blob \| blame \| history

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