Public Git Hosting - gromacs.git/search

2020-02-28	Paul Bauer	Version 2019.6	commit \| commitdiff \| tree
2020-02-05	Berk Hess	Actually fix PME forces with FE without perturbed q/LJ	commit \| commitdiff \| tree
2019-12-23	Paul Bauer	Prepare for GROMACS 2019.6	commit \| commitdiff \| tree
2019-12-23	Paul Bauer	GROMACS version 2019.5	commit \| commitdiff \| tree
2019-12-23	Paul Bauer	Revert "Fix that tests intended for multiple ranks...	commit \| commitdiff \| tree
2019-12-13	Paul Bauer	Check for using correct hwloc headers and runtime	commit \| commitdiff \| tree
2019-12-06	Christian Blau	Change arbitrary units to counts in RMSD distance distributi...	commit \| commitdiff \| tree
2019-11-26	Berk Hess	Fix issues with AWH with periodic pulling	commit \| commitdiff \| tree
2019-11-25	Christian Blau	Fix duplicate CONNECT records in pdb files	commit \| commitdiff \| tree
2019-10-09	Berk Hess	Increase spc minimization test tolerance	commit \| commitdiff \| tree
2019-10-09	Berk Hess	Fix random energy and virial with PME on GPU on a PME...	commit \| commitdiff \| tree
2019-10-02	Paul Bauer	Prepare for 2019.5	commit \| commitdiff \| tree
2019-10-02	Paul Bauer	GROMACS version 2019.4	commit \| commitdiff \| tree
2019-10-01	Berk Hess	Always output correct kinetic at last step	commit \| commitdiff \| tree
2019-09-02	Berk Hess	Fix incorrect rvdw on GPU with rvdw<rcoulomb	commit \| commitdiff \| tree
2019-08-23	Erik Lindahl	Default to AVX2_256 SIMD for Zen2	commit \| commitdiff \| tree
2019-08-06	Mark Abraham	Fix for MSVC+CUDA	commit \| commitdiff \| tree
2019-08-02	Berk Hess	Made gmx disre work with non-consecutively labeled...	commit \| commitdiff \| tree
2019-07-09	Paul Bauer	Fix link to acpype repository	commit \| commitdiff \| tree
2019-07-08	Paul Bauer	Fix issues found by clang-tidy 7	commit \| commitdiff \| tree
2019-07-02	Paul Bauer	Fix bug in gmx xpm2ps	commit \| commitdiff \| tree
2019-06-14	Paul Bauer	Prepare for 2019.4	commit \| commitdiff \| tree
2019-06-14	Paul Bauer	Version 2019.3	commit \| commitdiff \| tree
2019-06-14	Paul Bauer	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree
2019-06-12	Paul Bauer	Fix qsort not being defined on Apple Clang	commit \| commitdiff \| tree
2019-06-11	Paul Bauer	Extend information for gmxcpp syntax error.	commit \| commitdiff \| tree
2019-05-29	Paul Bauer	Version 2018.7	commit \| commitdiff \| tree
2019-05-27	Berk Hess	Work around gcc 7 avx512 bug	commit \| commitdiff \| tree
2019-05-27	Paul Bauer	Add more info for wrong line endings	commit \| commitdiff \| tree
2019-05-24	Paul Bauer	Fix membrane embedding	commit \| commitdiff \| tree
2019-05-23	Mark Abraham	Revert "Fixed dvdlambda for SHAKE + FE"	commit \| commitdiff \| tree
2019-05-23	Paul Bauer	Add check for allocating too many interactions	commit \| commitdiff \| tree
2019-05-13	Paul Bauer	Prepare for 2018.7	commit \| commitdiff \| tree
2019-05-02	Paul Bauer	Fix FPE in do_steep	commit \| commitdiff \| tree
2019-04-16	Paul Bauer	Prepare for version 2019.3	commit \| commitdiff \| tree
2019-04-16	Berk Hess	Make mdrun -nsteps work again.	commit \| commitdiff \| tree
2019-04-15	Berk Hess	Update 2019 release notes for issue 2845	commit \| commitdiff \| tree
2019-04-15	Szilárd Páll	Add user guide note on AVX512 throttle in GPU runs	commit \| commitdiff \| tree
2019-04-15	Berk Hess	Disallow pull geometry direction-periodic with AWH	commit \| commitdiff \| tree
2019-04-09	Mark Abraham	Fix typo in AVX512 detection code	commit \| commitdiff \| tree
2019-03-12	Paul Bauer	Fix formatting error in user guide reference	commit \| commitdiff \| tree
2019-02-20	Paul Bauer	Version 2018.6	commit \| commitdiff \| tree
2019-02-19	Paul Bauer	Prepare for 2019.2	commit \| commitdiff \| tree
2019-02-19	Szilárd Páll	Disable instruction fusion on Power8	commit \| commitdiff \| tree
2019-02-15	Paul Bauer	Version 2019.1	commit \| commitdiff \| tree
2019-02-15	Mark Abraham	Improved diagnostics when PME cannot run on GPUs	commit \| commitdiff \| tree
2019-02-15	Berk Hess	Fix mass Delta H double counting	commit \| commitdiff \| tree
2019-02-15	Szilárd Páll	Extend performance considerations on bonded offload	commit \| commitdiff \| tree
2019-01-25	Roland Schulz	Work-around for ICC bug in simd-tests	commit \| commitdiff \| tree
2019-01-23	Paul Bauer	Change gcov to run on bs-mic	commit \| commitdiff \| tree
2019-01-22	Paul Bauer	Prepare for 2018.6	commit \| commitdiff \| tree
2019-01-22	Paul Bauer	Version 2018.5	commit \| commitdiff \| tree
2019-01-21	Mark Abraham	Fix trjconv -ndec	commit \| commitdiff \| tree
2019-01-16	Paul Bauer	Fix memory leak in solvate	commit \| commitdiff \| tree
2019-01-08	Mark Abraham	Fix trjconv -ndec	commit \| commitdiff \| tree
2019-01-08	Mark Abraham	Simplify reporting of GPU selection	commit \| commitdiff \| tree
2019-01-07	Paul Bauer	Remove DOI entries when not on release patch	commit \| commitdiff \| tree
2019-01-02	Szilárd Páll	Do not whitelist the use of OpenCL 1.1 API	commit \| commitdiff \| tree
2018-12-31	Paul Bauer	Prepare for 2019.1	commit \| commitdiff \| tree
2018-12-31	Paul Bauer	GROMACS 2019 release	commit \| commitdiff \| tree
2018-12-31	Kevin Boyd	Only report intra-sim communication with multiple ranks	commit \| commitdiff \| tree
2018-12-31	Paul Bauer	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree
2018-12-22	Szilárd Páll	Runtime check of device OpenCL support	commit \| commitdiff \| tree
2018-12-21	Szilárd Páll	Make jenkins own-fftw verify use local tarball	commit \| commitdiff \| tree
2018-12-19	Jiannan Liu	Missing factor of 2 in cos-acceleration	commit \| commitdiff \| tree
2018-12-17	Paul Bauer	Copy parallelisation info from old webpage	commit \| commitdiff \| tree
2018-12-17	Paul Bauer	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree
2018-12-14	Berk Hess	Fix LINCS triangle constraining with OpenMP	commit \| commitdiff \| tree
2018-12-14	Paul Bauer	GROMACS 2019 Release candidate	commit \| commitdiff \| tree
2018-12-14	Berk Hess	Fixed nullptr derefence in LINCS error	commit \| commitdiff \| tree
2018-12-14	Magnus Lundborg	Set HAVE_LMFIT properly	commit \| commitdiff \| tree
2018-12-14	Berk Hess	Fix LINCS triangle constraining with OpenMP	commit \| commitdiff \| tree
2018-12-14	Szilárd Páll	Enable ARMPL in the armclang build	commit \| commitdiff \| tree
2018-12-13	Roland Schulz	Remove unused MdrunComparisonFixture	commit \| commitdiff \| tree
2018-12-13	Szilárd Páll	Document the FP exception in cuFFT 7.0	commit \| commitdiff \| tree
2018-12-10	Paul Bauer	Disable gmxapi by default	commit \| commitdiff \| tree
2018-12-05	Berk Hess	Add update groups to parallelization docs	commit \| commitdiff \| tree
2018-12-03	Mark Abraham	Move responsibility for PME reduction to its module	commit \| commitdiff \| tree
2018-11-30	Paul Bauer	Recreate flowchart figure	commit \| commitdiff \| tree
2018-11-29	Paul Bauer	Fix energy history reading	commit \| commitdiff \| tree
2018-11-29	Paul Bauer	Make Imagemagick availability more visible	commit \| commitdiff \| tree
2018-11-22	Paul Bauer	Prepare for 2019 release candidate	commit \| commitdiff \| tree
2018-11-22	Paul Bauer	GROMACS 2019 third beta release	commit \| commitdiff \| tree
2018-11-21	Paul Bauer	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree
2018-11-16	M. Eric Irrgang	Expand gmxapi testing to include thread-MPI.	commit \| commitdiff \| tree
2018-11-14	Mark Abraham	More warning suppressions for QMMM code	commit \| commitdiff \| tree
2018-11-14	M. Eric Irrgang	Note GMXAPI CMake variables and build targets.	commit \| commitdiff \| tree
2018-11-12	Paul Bauer	Update to prepare for 2018.5 point release	commit \| commitdiff \| tree
2018-11-12	Paul Bauer	Version 2018.4	commit \| commitdiff \| tree
2018-11-09	Mark Abraham	Disabled FPE checking for non-release builds	commit \| commitdiff \| tree
2018-11-06	Paul Bauer	Prepare for beta3	commit \| commitdiff \| tree
2018-11-06	Paul Bauer	GROMACS 2019 second beta release	commit \| commitdiff \| tree
2018-11-05	Mark Abraham	Remove source file with no content	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Fix non ascii characters in manual references	commit \| commitdiff \| tree
2018-11-05	Paul Bauer	Fix formatting issue	commit \| commitdiff \| tree
2018-11-02	Mark Abraham	Quiet unused variable warnings	commit \| commitdiff \| tree
2018-11-01	M. Eric Irrgang	Fully define symbols in restraintpotential.h	commit \| commitdiff \| tree
2018-10-30	Mark Abraham	Updates to docs for OpenCL support	commit \| commitdiff \| tree
2018-10-26	Paul Bauer	Fix link formatting in developer manual	commit \| commitdiff \| tree
2018-10-26	Paul Bauer	Update user documentation overview	commit \| commitdiff \| tree
next

The ultimate molecular dynamics simulation package

RSS Atom