BioD PNPI Git Repos - alexxy/gromacs.git/shortlog

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

2019-11-15	Artem Zhmurov	Removing code duplications in StatePropagatorDataGpu	commit \| commitdiff \| tree \| snapshot
2019-11-15	ejjordan	Fuse two adjacent neighbor search branches in do_force	commit \| commitdiff \| tree \| snapshot
2019-11-14	ejjordan	Remove qm dependence on forcerec in do_force_lowlevel	commit \| commitdiff \| tree \| snapshot
2019-11-14	Berk Hess	Simplify t_forcerec destruction	commit \| commitdiff \| tree \| snapshot
2019-11-14	ejjordan	Remove useGpuNonbonded from launchGpuEndOfStepTasks...	commit \| commitdiff \| tree \| snapshot
2019-11-13	ejjordan	Create clang-tidy cmake option	commit \| commitdiff \| tree \| snapshot
2019-11-13	Artem Zhmurov	Use same matrix for Parrinello-Rahman and Berendsen...	commit \| commitdiff \| tree \| snapshot
2019-11-13	Paul Bauer	Change version for master	commit \| commitdiff \| tree \| snapshot
2019-11-12	ejjordan	Fix type in clang-format.sh help text	commit \| commitdiff \| tree \| snapshot
2019-11-11	M. Eric Irrgang	Achieve gmxapi fr15.	commit \| commitdiff \| tree \| snapshot
2019-11-11	M. Eric Irrgang	Updates to gmxapi FR15 acceptance test.	commit \| commitdiff \| tree \| snapshot
2019-11-11	M. Eric Irrgang	Update notes and tests regarding gmxapi acceptance...	commit \| commitdiff \| tree \| snapshot
2019-11-09	ejjordan	Fix mdp parameter handling in mdrun tests	commit \| commitdiff \| tree \| snapshot
2019-11-08	ejjordan	Fix 2 broken NOLINT's from clang-format change	commit \| commitdiff \| tree \| snapshot
2019-11-08	M. Eric Irrgang	Fix bug introduced by clang-format reformat.	commit \| commitdiff \| tree \| snapshot
2019-11-07	Paul Bauer	Apply clang-format to source tree	commit \| commitdiff \| tree \| snapshot
2019-11-07	Christian Blau	Stochastic dynamics - document that nsttcouple is ignored	commit \| commitdiff \| tree \| snapshot
2019-11-06	Berk Hess	Deprecated sc-r-power=48	commit \| commitdiff \| tree \| snapshot
2019-11-06	Erik Lindahl	Work around broken Apple compilers in Mac OS 10.15	commit \| commitdiff \| tree \| snapshot
2019-11-05	M. Eric Irrgang	Update googletest location in COPYING.	commit \| commitdiff \| tree \| snapshot
2019-11-04	Paul Bauer	Add build for clang-format	commit \| commitdiff \| tree \| snapshot
2019-11-04	Paul Bauer	Split up source code formatting scripts	commit \| commitdiff \| tree \| snapshot
2019-11-04	M. Eric Irrgang	Update gmxapi Python documentation instructions.	commit \| commitdiff \| tree \| snapshot
2019-11-04	Teemu Murtola	Update clang-format config	commit \| commitdiff \| tree \| snapshot
2019-11-03	M. Eric Irrgang	Update Sphinx link.	commit \| commitdiff \| tree \| snapshot
2019-11-03	M. Eric Irrgang	Fix typos.	commit \| commitdiff \| tree \| snapshot
2019-11-03	Szilárd Páll	Improve SimulationWorkload doxygen	commit \| commitdiff \| tree \| snapshot
2019-11-01	M. Eric Irrgang	Fix documentation typo.	commit \| commitdiff \| tree \| snapshot
2019-11-01	Paul Bauer	Second beta release of GROMACS 2020	commit \| commitdiff \| tree \| snapshot
2019-11-01	Christian Blau	Fix cross-correlation calculation instability	commit \| commitdiff \| tree \| snapshot
2019-11-01	Szilárd Páll	Rename reference checksum generating target	commit \| commitdiff \| tree \| snapshot
2019-11-01	Szilárd Páll	Use "-" in checksum-related version suffix	commit \| commitdiff \| tree \| snapshot
2019-11-01	Szilárd Páll	Improve workload data structures' docs	commit \| commitdiff \| tree \| snapshot
2019-11-01	Alan Gray	Remove energy step dependence on GPU force buffer ops	commit \| commitdiff \| tree \| snapshot
2019-11-01	Berk Hess	Add haveEwaldSurfaceContribution to SimulationWorkload	commit \| commitdiff \| tree \| snapshot
2019-11-01	M. Eric Irrgang	Normalize sample_restraint target names.	commit \| commitdiff \| tree \| snapshot
2019-11-01	Paul Bauer	Prepare for 2020 beta 2	commit \| commitdiff \| tree \| snapshot
2019-11-01	Paul Bauer	Add validation of tarball builds	commit \| commitdiff \| tree \| snapshot
2019-10-31	M. Eric Irrgang	Allow validation of the generated CMake toolchain file.	commit \| commitdiff \| tree \| snapshot
2019-10-31	Paul Bauer	Use type of explicit size in inmemoryserializer	commit \| commitdiff \| tree \| snapshot
2019-10-31	M. Eric Irrgang	Improve uniformity of OS X CMake configuration.	commit \| commitdiff \| tree \| snapshot
2019-10-31	M. Eric Irrgang	Restore CMake convenience targets for sample_restraint.	commit \| commitdiff \| tree \| snapshot
2019-10-31	Alan Gray	Remove dead code for nbnxm H2D coordinate copy event	commit \| commitdiff \| tree \| snapshot
2019-10-31	Alan Gray	Bug fix for event passed to GPU comm features	commit \| commitdiff \| tree \| snapshot
2019-10-31	Pascal Merz	Check for contradicting environment variables (modular...	commit \| commitdiff \| tree \| snapshot
2019-10-31	Mark Abraham	Tests for valid periodic actions	commit \| commitdiff \| tree \| snapshot
2019-10-31	M. Eric Irrgang	Deduplicate gmxapi documentation.	commit \| commitdiff \| tree \| snapshot
2019-10-31	Artem Zhmurov	Remove excessive H2D and D2H copies of forces when...	commit \| commitdiff \| tree \| snapshot
2019-10-31	Berk Hess	Update GPU update restrictions	commit \| commitdiff \| tree \| snapshot
2019-10-30	Pascal Merz	Fix doxygen for modular simulator	commit \| commitdiff \| tree \| snapshot
2019-10-30	Jonathan Vincent	Update PME CUDA spread/gather	commit \| commitdiff \| tree \| snapshot
2019-10-30	Pascal Merz	Fix modular simulator documentation	commit \| commitdiff \| tree \| snapshot
2019-10-30	Berk Hess	Fix walls with GPU update	commit \| commitdiff \| tree \| snapshot
2019-10-29	Pascal Merz	Fix compatibility check of modular simulator	commit \| commitdiff \| tree \| snapshot
2019-10-29	M. Eric Irrgang	Disable its tests when sample_restraint is not the...	commit \| commitdiff \| tree \| snapshot
2019-10-29	M. Eric Irrgang	Decrease the maximum allowed Python version for gmxapi.	commit \| commitdiff \| tree \| snapshot
2019-10-29	Artem Zhmurov	Disable GPU update when coordinates swapping is enabled	commit \| commitdiff \| tree \| snapshot
2019-10-29	Berk Hess	Add mdrun GPU update documentation	commit \| commitdiff \| tree \| snapshot
2019-10-29	Berk Hess	Fix Ewald dipole correction with GPU update	commit \| commitdiff \| tree \| snapshot
2019-10-29	Berk Hess	Disable pressure coupling with GPU update	commit \| commitdiff \| tree \| snapshot
2019-10-29	Paul Bauer	Merge "Merge branch 'release-2019' into master"	commit \| commitdiff \| tree \| snapshot
2019-10-29	Paul Bauer	Merge branch 'release-2019' into master	commit \| commitdiff \| tree \| snapshot
2019-10-29	Alan Gray	Explicitly destroy PME-PP GPU communication object	commit \| commitdiff \| tree \| snapshot
2019-10-29	Artem Zhmurov	Switch the GPU buffer ops on when update is on GPU	commit \| commitdiff \| tree \| snapshot
2019-10-28	Artem Zhmurov	Fix missing coordinate D2H copy with GPU update and...	commit \| commitdiff \| tree \| snapshot
2019-10-28	Artem Zhmurov	Add haveCpuLocalForces flag to DomainLifetimeWorkload	commit \| commitdiff \| tree \| snapshot
2019-10-28	Szilárd Páll	Extend SimulationWorkload with CPU flags	commit \| commitdiff \| tree \| snapshot
2019-10-28	Artem Zhmurov	Allow using update flag	commit \| commitdiff \| tree \| snapshot
2019-10-28	M. Eric Irrgang	Update bundled pybind.	commit \| commitdiff \| tree \| snapshot
2019-10-27	M. Eric Irrgang	Fix CMake message typo.	commit \| commitdiff \| tree \| snapshot
2019-10-27	Pascal Merz	Enable forced rotation for modular simulator	commit \| commitdiff \| tree \| snapshot
2019-10-25	M. Eric Irrgang	Improve gmxapi mdrun test.	commit \| commitdiff \| tree \| snapshot
2019-10-24	Berk Hess	Add bool useDomainDecomposition in mdrunner	commit \| commitdiff \| tree \| snapshot
2019-10-24	Berk Hess	Add gmx_mtop_interaction_count()	commit \| commitdiff \| tree \| snapshot
2019-10-24	Berk Hess	Fix initializers in locality.h	commit \| commitdiff \| tree \| snapshot
2019-10-23	Berk Hess	Move locality.h from nbnxm to mdtypes	commit \| commitdiff \| tree \| snapshot
2019-10-23	Berk Hess	Use gmx::Range in Nbnxm gridding functions	commit \| commitdiff \| tree \| snapshot
2019-10-23	M. Eric Irrgang	Suppress some output when sample_restraint is built...	commit \| commitdiff \| tree \| snapshot
2019-10-23	ejjordan	Make t_nextnb an implementation detail	commit \| commitdiff \| tree \| snapshot
2019-10-23	Artem Zhmurov	Slight improvements to decideWhetherToUseGpuForUpdate...	commit \| commitdiff \| tree \| snapshot
2019-10-23	Berk Hess	Fix illegal memory access in FE calculations	commit \| commitdiff \| tree \| snapshot
2019-10-23	Berk Hess	Expand documentation for nbnxn_put_on_grid()	commit \| commitdiff \| tree \| snapshot
2019-10-23	Pascal Merz	Correct for skewed box before domain decomposition...	commit \| commitdiff \| tree \| snapshot
2019-10-23	Alan Gray	Enable GPU Peer Access in GPU Utilities	commit \| commitdiff \| tree \| snapshot
2019-10-23	Pascal Merz	Fix log writing (modular simulator)	commit \| commitdiff \| tree \| snapshot
2019-10-23	Pascal Merz	Adapt enum to style convention (modular simulator)	commit \| commitdiff \| tree \| snapshot
2019-10-23	Pascal Merz	Small improvement to EnergyElement (modular simulator)	commit \| commitdiff \| tree \| snapshot
2019-10-22	Artem Zhmurov	Remove unnecessary CUDA stream synchronization calls	commit \| commitdiff \| tree \| snapshot
2019-10-22	Pascal Merz	Fix stop condition handling (modular simulator)	commit \| commitdiff \| tree \| snapshot
2019-10-22	Pascal Merz	Fix signal propagation (modular simulator)	commit \| commitdiff \| tree \| snapshot
2019-10-22	ejjordan	Remove unused functions from gmxpreprocess	commit \| commitdiff \| tree \| snapshot
2019-10-22	Artem Zhmurov	Rename havePositionRestraints(...) to haveRestraints...	commit \| commitdiff \| tree \| snapshot
2019-10-22	Berk Hess	Require -ei for essential dynamics	commit \| commitdiff \| tree \| snapshot
2019-10-22	Christian Blau	Fix nst in density-fitting module	commit \| commitdiff \| tree \| snapshot
2019-10-22	Pascal Merz	Fix DomDec step (modular simulator)	commit \| commitdiff \| tree \| snapshot
2019-10-22	Pascal Merz	Fix PmeLoadBalanceHelper initialization (modular simulator)	commit \| commitdiff \| tree \| snapshot
2019-10-22	ejjordan	Remove unused function generate_excls and make clean_ex...	commit \| commitdiff \| tree \| snapshot
2019-10-21	Szilárd Páll	Remove unsupported configs from the gpuupdate matrix	commit \| commitdiff \| tree \| snapshot
2019-10-21	Szilárd Páll	Override GMX_GPU_DD_COMMS if nonbondeds are off	commit \| commitdiff \| tree \| snapshot
2019-10-21	Artem Zhmurov	Update the copyright message	commit \| commitdiff \| tree \| snapshot
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