BioD PNPI Git Repos - alexxy/gromacs.git/commit - src/gromacs/nbnxm/sycl/nbnxm_sycl

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

author	Paul Bauer <paul.bauer.q@gmail.com>
	Thu, 6 May 2021 14:22:09 +0000 (16:22 +0200)
committer	Paul Bauer <paul.bauer.q@gmail.com>
	Fri, 7 May 2021 08:21:46 +0000 (10:21 +0200)
commit	82d2e54cc8572a3b5011f90395cb2e64ba86a0e0
tree	d88284e3888712cbc7adf093cfecc4cf28aaa620	tree \| snapshot
parent	82860efede444213f6ea51e3d29e3652690f3ede	commit \| diff
parent	d09f2a36d0066b94bd1554095601b80765f28fe1	commit \| diff

Merge branch release-2021 into merge-2021-into-master

Resolved Conflicts:
cmake/gmxCFlags.cmake
cmake/gmxManageFFTLibraries.cmake
cmake/gmxVersionInfo.cmake
docs/CMakeLists.txt
src/gromacs/applied_forces/awh/bias.cpp
src/gromacs/applied_forces/awh/biasstate.cpp
src/gromacs/applied_forces/awh/biasstate.h
src/gromacs/applied_forces/awh/read_params.cpp
src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp
src/gromacs/fileio/vmdio.cpp
src/gromacs/gmxpreprocess/readir.cpp
src/gromacs/mdlib/constr.cpp
src/gromacs/mdlib/enerdata_utils.cpp
src/gromacs/mdlib/mdatoms.cpp
src/gromacs/mdrun/mimic.cpp
src/gromacs/mdrun/runner.cpp
src/gromacs/modularsimulator/modularsimulator.cpp
src/gromacs/utility/mdmodulesnotifiers.h

37 files changed:

CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
admin/gitlab-ci/lint.gitlab-ci.yml	diff1 \|	diff2 \|	blob \| history
api/nblib/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
api/nblib/tests/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
cmake/FindLibStdCpp.cmake	diff1 \|	diff2 \|	blob \| history
cmake/gmxCFlags.cmake	diff1 \|	diff2 \|	blob \| history
cmake/gmxManageFFTLibraries.cmake	diff1 \|	diff2 \|	blob \| history
cmake/gmxManageSharedLibraries.cmake	diff1 \|	diff2 \|	blob \| history
cmake/gmxVersionInfo.cmake	diff1 \|	diff2 \|	blob \| history
docs/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
docs/release-notes/index.rst	diff1 \|	diff2 \|	blob \| history
docs/user-guide/mdp-options.rst	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/awh/bias.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/awh/biasparams.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/awh/read_params.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/electricfield.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/fileio/matio.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/fileio/vmdio.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxana/gmx_xpm2ps.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/grompp.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/pdb2gmx.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/readir.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/hardware/device_management_ocl.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/constr.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/enerdata_utils.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/mdoutf.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/stat.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/trajectory_writing.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/minimize.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/rerun.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/modularsimulator.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/pbcutil/pbc.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/taskassignment/decidegpuusage.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/topology/mtop_util.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/topology/mtop_util.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/utility/mdmodulesnotifiers.h	diff1 \|	diff2 \|	blob \| history

Local GROMACS mirror with custom stuff

RSS Atom

CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
admin/gitlab-ci/lint.gitlab-ci.yml	diff1 \|	diff2 \|	blob \| history
api/nblib/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
api/nblib/tests/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
cmake/FindLibStdCpp.cmake	diff1 \|	diff2 \|	blob \| history
cmake/gmxCFlags.cmake	diff1 \|	diff2 \|	blob \| history
cmake/gmxManageFFTLibraries.cmake	diff1 \|	diff2 \|	blob \| history
cmake/gmxManageSharedLibraries.cmake	diff1 \|	diff2 \|	blob \| history
cmake/gmxVersionInfo.cmake	diff1 \|	diff2 \|	blob \| history
docs/CMakeLists.txt	diff1 \|	diff2 \|	blob \| history
docs/release-notes/index.rst	diff1 \|	diff2 \|	blob \| history
docs/user-guide/mdp-options.rst	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/awh/bias.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/awh/biasparams.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/awh/read_params.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/applied_forces/electricfield.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/fileio/matio.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/fileio/vmdio.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxana/gmx_xpm2ps.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/grompp.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/pdb2gmx.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/gmxpreprocess/readir.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/hardware/device_management_ocl.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/constr.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/enerdata_utils.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/mdoutf.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/stat.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdlib/trajectory_writing.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/minimize.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/mdrun/rerun.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/modularsimulator/modularsimulator.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/pbcutil/pbc.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/taskassignment/decidegpuusage.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/topology/mtop_util.cpp	diff1 \|	diff2 \|	blob \| history
src/gromacs/topology/mtop_util.h	diff1 \|	diff2 \|	blob \| history
src/gromacs/utility/mdmodulesnotifiers.h	diff1 \|	diff2 \|	blob \| history