Public Git Hosting - gromacs.git/search

2019-07-11	Mark Abraham	Fix pre-submit build matrix and description	commit \| commitdiff \| tree
2019-07-11	Kevin Boyd	Use const views in matrix determinant calculation	commit \| commitdiff \| tree
2019-07-11	Kevin Boyd	Add trace functionality to 3x3 matrices	commit \| commitdiff \| tree
2019-07-11	Pascal Merz	Get rid of clang-tidy warning in do_md/rerun/mimic	commit \| commitdiff \| tree
2019-07-11	Pascal Merz	Remove dependence of compute_globals on t_state	commit \| commitdiff \| tree
2019-07-11	Pascal Merz	Make relax_shell_flexcon independent of t_state	commit \| commitdiff \| tree
2019-07-11	Kevin Boyd	Clean up gmx solvate	commit \| commitdiff \| tree
2019-07-10	Kevin Boyd	Add implicit conversion of mdspan-containing types...	commit \| commitdiff \| tree
2019-07-10	M. Eric Irrgang	gmxapi Python package documentation layout.	commit \| commitdiff \| tree
2019-07-09	Paul Bauer	Fix postsubmit	commit \| commitdiff \| tree
2019-07-08	Mark Abraham	Fix hwloc and sphinx detection	commit \| commitdiff \| tree
2019-07-08	Mark Abraham	Test specific hwloc versions	commit \| commitdiff \| tree
2019-07-05	Mark Abraham	Improve tests of index block construction	commit \| commitdiff \| tree
2019-07-04	Mark Abraham	Fix clang-tidy-7 issues	commit \| commitdiff \| tree
2019-07-02	Kevin Boyd	Add mdspan basic elementwise math	commit \| commitdiff \| tree
2019-07-02	M. Eric Irrgang	Update gmxapi test fixtures.	commit \| commitdiff \| tree
2019-06-27	Szilárd Páll	Remove already resolved post-submit matrix TODO	commit \| commitdiff \| tree
2019-06-24	Szilárd Páll	Only use AVX512 in own-FFTW if GROMACS also uses it	commit \| commitdiff \| tree
2019-06-24	Pascal Merz	Make global topology constant in trajectory writing	commit \| commitdiff \| tree
2019-05-13	Artem Zhmurov	Clarify the EnergyOutput I	commit \| commitdiff \| tree
2019-05-07	Mark Abraham	Provide better help for using libc++	commit \| commitdiff \| tree
2019-05-06	Artem Zhmurov	Fixing minor memory issues in MDLib	commit \| commitdiff \| tree
2019-05-03	Paul Bauer	Replace t_grps with std::vector	commit \| commitdiff \| tree
2019-04-25	Szilárd Páll	Fix clang warning about NULL use	commit \| commitdiff \| tree
2019-04-25	Szilárd Páll	Avoid using AtomLocality::Count as a valid value	commit \| commitdiff \| tree
2019-04-25	Artem Zhmurov	Improvements for energy output test.	commit \| commitdiff \| tree
2019-04-23	Mark Abraham	Updated clang -Weverything checks to clang-7	commit \| commitdiff \| tree
2019-04-18	Paul Bauer	Update clang-tidy to check for dangling references	commit \| commitdiff \| tree
2019-04-18	Berk Hess	Fix pdb-related issues	commit \| commitdiff \| tree
2019-04-17	Paul Bauer	Create gmx::compat::string_view	commit \| commitdiff \| tree
2019-04-16	ejjordan	Die with helpful note in case of incorrect input to...	commit \| commitdiff \| tree
2019-04-10	M. Eric Irrgang	Use pybind11 to make a minimal C++ Python extension.	commit \| commitdiff \| tree
2019-04-03	Paul Bauer	Fix post submit	commit \| commitdiff \| tree
2019-03-28	Roland Schulz	Fix UB vector usage	commit \| commitdiff \| tree
2019-03-25	Mark Abraham	Convert gmx dump to module	commit \| commitdiff \| tree
2019-03-22	Christian Blau	densityfitting - serializer for mrc header data.	commit \| commitdiff \| tree
2019-03-19	Berk Hess	Reduce dependencies of nbnxn_atomdata_t	commit \| commitdiff \| tree
2019-03-05	Mark Abraham	Make pdb2gmx tests run in Jenkins	commit \| commitdiff \| tree
2019-03-05	Berk Hess	Fix post-submit warnings	commit \| commitdiff \| tree
2019-03-04	Paul Bauer	Merge "Merge branch release-2019"	commit \| commitdiff \| tree
2019-03-01	Jukka Maatta	Make OpenCL dummyKernel to require a input parameter	commit \| commitdiff \| tree
2019-02-26	Prashanth Kanduri	Moving finish_run(...) to runner.cpp	commit \| commitdiff \| tree
2019-02-21	Berk Hess	Move free-energy kernel dispatch into nbnxm module	commit \| commitdiff \| tree
2019-02-20	Paul Bauer	Merge "Merge branch 'release-2019' into master"	commit \| commitdiff \| tree
2019-02-20	Berk Hess	Refactor DLB region handling	commit \| commitdiff \| tree
2019-02-20	Paul Bauer	Merge branch 'release-2019' into master	commit \| commitdiff \| tree
2019-02-19	Paul Bauer	Prepare for 2019.2	commit \| commitdiff \| tree
2019-02-19	Roland Schulz	Improve libstd++ handling	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
2019-02-13	Szilárd Páll	Minor refactoring in mdrunnner	commit \| commitdiff \| tree
2019-02-12	Szilárd Páll	Minor refactor of gpuid / task mapping parsing	commit \| commitdiff \| tree
2019-02-12	Paul Bauer	Refactor special bonds	commit \| commitdiff \| tree
2019-02-12	Paul Bauer	Refactor t_rbonded and t_rbondeds	commit \| commitdiff \| tree
2019-02-12	Christian Blau	3x3 matrices	commit \| commitdiff \| tree
2019-02-12	Mark Abraham	Remove gmx::Regex	commit \| commitdiff \| tree
2019-02-09	Paul Bauer	Change nightly matrix label to not use hwloc	commit \| commitdiff \| tree
2019-02-08	Mark Abraham	Reform energy output tests	commit \| commitdiff \| tree
2019-02-02	Roland Schulz	Remove reliance on inconsistent cmake feature testing	commit \| commitdiff \| tree
2019-01-29	Roland Schulz	Add cmake C++14 feature check	commit \| commitdiff \| tree
2019-01-26	Roland Schulz	Fix misc clang warnings	commit \| commitdiff \| tree
2019-01-25	Berk Hess	Fix LINCS bug from recent commit 211039fc	commit \| commitdiff \| tree
2019-01-25	Roland Schulz	Work-around for ICC bug in simd-tests	commit \| commitdiff \| tree
2019-01-23	Roland Schulz	Merge release-2019 into master	commit \| commitdiff \| tree
2019-01-23	Paul Bauer	Change gcov to run on bs-mic	commit \| commitdiff \| tree
2019-01-23	Roland Schulz	Turn SystemAtomIterator into proper iterator	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
2019-01-15	Kevin Boyd	Fix tiny leak in pleasecite.cpp	commit \| commitdiff \| tree
2019-01-14	Mark Abraham	Remove ctest section called kernel	commit \| commitdiff \| tree
2019-01-14	Mark Abraham	Migrate TPI testing to Verlet scheme	commit \| commitdiff \| tree
2019-01-10	Mark Abraham	Add more checks for division by zero	commit \| commitdiff \| tree
2019-01-10	Paul Bauer	Fix string handling in vmdio	commit \| commitdiff \| tree
2019-01-09	Paul Bauer	Fix uncrustify complaining about files	commit \| commitdiff \| tree
2019-01-09	Kevin Boyd	Clean up thread teardown	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	Reuse Sphinx environment again	commit \| commitdiff \| tree
2019-01-07	Paul Bauer	Remove DOI entries when not on release patch	commit \| commitdiff \| tree
2019-01-02	Kevin Boyd	Free topology in non-DD simulations	commit \| commitdiff \| tree
2019-01-02	Mark Abraham	Merge branch release-2019	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
2018-12-31	David van der Spoel	Moved generic simulationdatabase code to testutils.	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
2018-12-19	Paul Bauer	Merge "Merge release-2019 branch into master"	commit \| commitdiff \| tree
2018-12-17	Kevin Boyd	Fix memory leaks in ns cleanup	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
next

The ultimate molecular dynamics simulation package

RSS Atom