Public Git Hosting - gromacs.git/search

2020-03-03	Paul Bauer	Version 2020.1	commit \| commitdiff \| tree
2020-03-03	Paul Bauer	Always hash files when building from release tarball	commit \| commitdiff \| tree
2020-03-02	Paul Bauer	Add Cuda build to gitlab CI	commit \| commitdiff \| tree
2020-03-02	Paul Bauer	Revert "Remove frozen atoms from VCM groups"	commit \| commitdiff \| tree
2020-03-02	Paul Bauer	Remove frozen atoms from VCM groups	commit \| commitdiff \| tree
2020-02-28	Paul Bauer	Merge branch release-2019 into release-2020	commit \| commitdiff \| tree
2020-02-28	Paul Bauer	Define all CPU NB kernels	commit \| commitdiff \| tree
2020-02-28	Paul Bauer	Version 2019.6	commit \| commitdiff \| tree
2020-02-25	Paul Bauer	Avoid integer overflow in dispersion correction	commit \| commitdiff \| tree
2020-02-25	Paul Bauer	Revert "Expose vsite counting"	commit \| commitdiff \| tree
2020-02-24	Paul Bauer	Fix clang-6 image template	commit \| commitdiff \| tree
2020-01-29	Paul Bauer	Workaround for Gitlab archive size	commit \| commitdiff \| tree
2020-01-24	Paul Bauer	Use utf-8 for python file reading	commit \| commitdiff \| tree
2020-01-21	Paul Bauer	Fix documentation error with doxygen >1.8.16	commit \| commitdiff \| tree
2020-01-17	Paul Bauer	Actually fix Gitlab doc build	commit \| commitdiff \| tree
2020-01-17	Paul Bauer	Fix bad link in developer docs	commit \| commitdiff \| tree
2020-01-16	Paul Bauer	Fix nightly build failure on Gitlab	commit \| commitdiff \| tree
2020-01-13	Paul Bauer	Revert "Exclude build-system files from CPack"	commit \| commitdiff \| tree
2020-01-01	Paul Bauer	Prepare for 2020.1	commit \| commitdiff \| tree
2020-01-01	Paul Bauer	GROMACS 2020 release	commit \| commitdiff \| tree
2020-01-01	Paul Bauer	Revert "GROMACS 2020 release"	commit \| commitdiff \| tree
2020-01-01	Paul Bauer	GROMACS 2020 release	commit \| commitdiff \| tree
2019-12-30	Paul Bauer	Fix build error with wrong name from cached cmake file	commit \| commitdiff \| tree
2019-12-28	Paul Bauer	Change releng to give information about Gitlab	commit \| commitdiff \| tree
2019-12-28	Paul Bauer	Extend information for GPU update	commit \| commitdiff \| tree
2019-12-28	Paul Bauer	Exclude build-system files from CPack	commit \| commitdiff \| tree
2019-12-28	Paul Bauer	Remove membed from features	commit \| commitdiff \| tree
2019-12-28	Paul Bauer	Deprecate support for Armv7	commit \| commitdiff \| tree
2019-12-27	Paul Bauer	Add copyright check and improve cache usage	commit \| commitdiff \| tree
2019-12-27	Paul Bauer	Merge origin/release-2019 into release-2020	commit \| commitdiff \| tree
2019-12-23	Paul Bauer	Add files for Gitlab CI	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
2019-12-20	Paul Bauer	Fix wrong header in release notes	commit \| commitdiff \| tree
2019-12-20	Paul Bauer	GROMACS 2020 release candidate	commit \| commitdiff \| tree
2019-12-19	Paul Bauer	Fix regressiontests failing with ctest	commit \| commitdiff \| tree
2019-12-18	Paul Bauer	Add ability to set OMP and tMPI thread for ctest	commit \| commitdiff \| tree
2019-12-18	Paul Bauer	Ignore build host for CI builds	commit \| commitdiff \| tree
2019-12-17	Paul Bauer	Test parallel mpi only with openmp	commit \| commitdiff \| tree
2019-12-17	Paul Bauer	Set correct dependency for doc build on gmxapi	commit \| commitdiff \| tree
2019-12-17	Paul Bauer	Fix compiler warning about extra ;	commit \| commitdiff \| tree
2019-12-17	Paul Bauer	Fix formatting error	commit \| commitdiff \| tree
2019-12-16	Paul Bauer	Fix torsion angle calculation	commit \| commitdiff \| tree
2019-12-13	Paul Bauer	Check for using correct hwloc headers and runtime	commit \| commitdiff \| tree
2019-12-03	Paul Bauer	Third beta release of GROMACS 2020	commit \| commitdiff \| tree
2019-12-03	Paul Bauer	Revert "Enable GPU update with DD when GPU comm features...	commit \| commitdiff \| tree
2019-12-03	Paul Bauer	Fix nightly build by correctly defining several	commit \| commitdiff \| tree
2019-12-02	Paul Bauer	Set update to run on GPU by default if possible	commit \| commitdiff \| tree
2019-12-01	Paul Bauer	Use DOI for citing in reference manual section	commit \| commitdiff \| tree
2019-11-29	Paul Bauer	Fix unaligned access with AVX512	commit \| commitdiff \| tree
2019-11-29	Paul Bauer	Fix build error without thread or regular mpi	commit \| commitdiff \| tree
2019-11-28	Paul Bauer	Check for using correct hwloc headers and runtime	commit \| commitdiff \| tree
2019-11-28	Paul Bauer	Fix postsubmit	commit \| commitdiff \| tree
2019-11-26	Paul Bauer	Fix unused variable warning in ewald code	commit \| commitdiff \| tree
2019-11-20	Paul Bauer	Merge 'origin/release-2019' into release-2020	commit \| commitdiff \| tree
2019-11-14	Paul Bauer	Fix formatting error	commit \| commitdiff \| tree
2019-11-13	Paul Bauer	Add build to run clang-format update on Jenkins	commit \| commitdiff \| tree
2019-11-12	Paul Bauer	Indicate which versions are no longer supported	commit \| commitdiff \| tree
2019-11-07	Paul Bauer	Apply clang-format to source tree	commit \| commitdiff \| tree
2019-11-04	Paul Bauer	Add build for clang-format	commit \| commitdiff \| tree
2019-11-04	Paul Bauer	Split up source code formatting scripts	commit \| commitdiff \| tree
2019-11-01	Paul Bauer	Second beta release of GROMACS 2020	commit \| commitdiff \| tree
2019-11-01	Paul Bauer	Prepare for 2020 beta 2	commit \| commitdiff \| tree
2019-11-01	Paul Bauer	Add validation of tarball builds	commit \| commitdiff \| tree
2019-10-31	Paul Bauer	Use type of explicit size in inmemoryserializer	commit \| commitdiff \| tree
2019-10-29	Paul Bauer	Merge "Merge branch 'release-2019' into master"	commit \| commitdiff \| tree
2019-10-29	Paul Bauer	Merge branch 'release-2019' into master	commit \| commitdiff \| tree
2019-10-18	Paul Bauer	Use clang-tidy-8	commit \| commitdiff \| tree
2019-10-15	Paul Bauer	Fix bug in preprocessing	commit \| commitdiff \| tree
2019-10-11	Paul Bauer	Add helper to reuse generated TPR files in testing	commit \| commitdiff \| tree
2019-10-10	Paul Bauer	Basic population of simulation workload	commit \| commitdiff \| tree
2019-10-02	Paul Bauer	Fix failures in clang-8 nightly build	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	Paul Bauer	Fix chain ID handling in make_ndx	commit \| commitdiff \| tree
2019-09-26	Paul Bauer	Revert "Remove update flag again"	commit \| commitdiff \| tree
2019-09-25	Paul Bauer	GROMACS 2020 first beta release	commit \| commitdiff \| tree
2019-09-24	Paul Bauer	Add test for noappend	commit \| commitdiff \| tree
2019-09-24	Paul Bauer	Merge branch release-2019 into master	commit \| commitdiff \| tree
2019-09-24	Paul Bauer	Read in TPR char buffer as vector	commit \| commitdiff \| tree
2019-09-24	Paul Bauer	Add release notes for modular simulator	commit \| commitdiff \| tree
2019-09-23	Paul Bauer	Fix issues when PME rank request becomes negative	commit \| commitdiff \| tree
2019-09-23	Paul Bauer	Change MPI setup to communicate TPR as buffer	commit \| commitdiff \| tree
2019-09-22	Paul Bauer	Remove update flag again	commit \| commitdiff \| tree
2019-09-19	Paul Bauer	Add basic interface to run update on GPU	commit \| commitdiff \| tree
2019-09-19	Paul Bauer	Split up do_tpx_body functions	commit \| commitdiff \| tree
2019-09-18	Paul Bauer	Read TPR file body in buffer	commit \| commitdiff \| tree
2019-09-18	Paul Bauer	Fix MSVC warning	commit \| commitdiff \| tree
2019-09-17	Paul Bauer	Add deprecation note for 32 bit	commit \| commitdiff \| tree
2019-09-16	Paul Bauer	Formatting fixes for reference manual	commit \| commitdiff \| tree
2019-09-13	Paul Bauer	Fix nightly failures	commit \| commitdiff \| tree
2019-09-13	Paul Bauer	Add list of unsupported functions in 2020	commit \| commitdiff \| tree
2019-09-11	Paul Bauer	Remove -sub option from trjconv	commit \| commitdiff \| tree
2019-09-11	Paul Bauer	Add missing gmxapi requirements	commit \| commitdiff \| tree
2019-09-11	Paul Bauer	Basic toolchain to facilitate GMXAPI build	commit \| commitdiff \| tree
2019-09-11	Paul Bauer	Disable false positive warning in ICC and MSVC	commit \| commitdiff \| tree
2019-09-10	Paul Bauer	Add indication on how to enable ImageMagick convert	commit \| commitdiff \| tree
2019-09-10	Paul Bauer	Fix nightly build	commit \| commitdiff \| tree
2019-09-10	Paul Bauer	Add method to extract clusters from trajectory	commit \| commitdiff \| tree
next

The ultimate molecular dynamics simulation package

RSS Atom