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

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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
2019-01-23	Roland Schulz	Merge release-2019 into master	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
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	Roland Schulz	Merge release-2019 into master	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
2018-11-13	Paul Bauer	Add cool quote	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
2018-10-22	Paul Bauer	Prepare for beta 2	commit \| commitdiff \| tree
2018-10-22	Paul Bauer	GROMACS 2019 first beta release	commit \| commitdiff \| tree
2018-10-18	Paul Bauer	Remove unused files in docs/manual	commit \| commitdiff \| tree
2018-10-18	Paul Bauer	Fix segmentation fault in gmx helix	commit \| commitdiff \| tree
2018-10-15	M. Eric Irrgang	Preparation for de-duplicating mdrun setup	commit \| commitdiff \| tree
2018-10-14	M. Eric Irrgang	Add some "to do"s for MDModules and Impl.	commit \| commitdiff \| tree
2018-10-14	Mark Abraham	Fix compiler warnings	commit \| commitdiff \| tree
2018-10-11	Mark Abraham	Open mdrun log file only once	commit \| commitdiff \| tree
2018-10-10	Paul Bauer	Wrong name for report-methods tool	commit \| commitdiff \| tree
2018-10-10	Berk Hess	Move pull output functions to output.cpp	commit \| commitdiff \| tree
2018-10-10	Berk Hess	Minor refactoring in bonded threading	commit \| commitdiff \| tree
2018-10-04	Berk Hess	Add note to avoid constraints=all-bonds	commit \| commitdiff \| tree
2018-10-03	Paul Bauer	Change acceptable precision in minimizer test	commit \| commitdiff \| tree
2018-10-03	M. Eric Irrgang	Combine private sections of Mdrunner definition.	commit \| commitdiff \| tree
2018-09-27	Berk Hess	Move maxReferenceTemperature() to inputrec	commit \| commitdiff \| tree
2018-09-27	Paul Bauer	Add mindist output file check	commit \| commitdiff \| tree
2018-09-27	Berk Hess	Improve update group radii	commit \| commitdiff \| tree
2018-09-27	Berk Hess	Reorganize RVec scaling functions	commit \| commitdiff \| tree
2018-09-26	Berk Hess	Support atom groups in nbnxn_search	commit \| commitdiff \| tree
2018-09-21	Pascal Merz	Make CGLO_CHECK_NUMBER_OF_BONDED_INTERACTIONS require...	commit \| commitdiff \| tree
2018-09-20	Paul Bauer	Separate methods to create localtop and t_topology	commit \| commitdiff \| tree
2018-09-19	M. Eric Irrgang	Change names of gmxapi::Version functions.	commit \| commitdiff \| tree
2018-09-19	Mark Abraham	Fix bug with state natoms in membed	commit \| commitdiff \| tree
2018-09-14	Paul Bauer	Remove LaTeX file writing from gmx check	commit \| commitdiff \| tree
2018-09-13	Mark Abraham	Eliminate main.h	commit \| commitdiff \| tree
2018-09-07	Mark Abraham	Separate simulation database used in tests	commit \| commitdiff \| tree
2018-09-05	M. Eric Irrgang	Adjust loader path resolution on Mac OS X.	commit \| commitdiff \| tree
2018-09-05	Mark Abraham	Be quieter when failing to detect GPUs	commit \| commitdiff \| tree
2018-09-05	Paul Bauer	Improve stability of parallel documentation build	commit \| commitdiff \| tree
2018-09-03	Paul Bauer	Fix error in documentation build	commit \| commitdiff \| tree
2018-09-03	Kevin Boyd	Correct info in Berendsen p-coupling mdp option	commit \| commitdiff \| tree
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