Public Git Hosting - gromacs.git/search

2018-03-21	Mark Abraham	Version 2018.1	commit \| commitdiff \| tree
2018-03-21	Mark Abraham	Merge "Merge branch release-2016 into release-2018...	commit \| commitdiff \| tree
2018-03-21	Mark Abraham	Update release notes for 2018.1	commit \| commitdiff \| tree
2018-03-20	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2018-03-20	Mark Abraham	Update use of gpu_id in Jenkins	commit \| commitdiff \| tree
2018-03-20	Berk Hess	Disallow single simulation with multisim	commit \| commitdiff \| tree
2018-03-20	Mark Abraham	Update use of gpu_id in Jenkins	commit \| commitdiff \| tree
2018-03-19	Mark Abraham	Fix VSX SIMD with gcc 8	commit \| commitdiff \| tree
2018-03-16	Berk Hess	Correct PMF sign error in AWH bias sharing	commit \| commitdiff \| tree
2018-03-14	Berk Hess	Improve inter-simulation signaling	commit \| commitdiff \| tree
2018-03-14	Berk Hess	Fix mdrun signalling with AWH bias sharing	commit \| commitdiff \| tree
2018-03-13	Berk Hess	Add AWH fixes to release notes	commit \| commitdiff \| tree
2018-03-13	Berk Hess	Fix AWH ensemble checkpointing	commit \| commitdiff \| tree
2018-03-13	Berk Hess	Fix AWH deconvolution when sharing a bias	commit \| commitdiff \| tree
2018-03-13	Szilárd Páll	Fix clang 6.0 with CUDA 9.0	commit \| commitdiff \| tree
2018-03-09	Berk Hess	Correct pdb2gmx -missing option	commit \| commitdiff \| tree
2018-03-06	Mark Abraham	Fixed dvdlambda for SHAKE + FE	commit \| commitdiff \| tree
2018-03-05	Szilárd Páll	Add to the contributor section	commit \| commitdiff \| tree
2018-03-01	Berk Hess	Detect AMD SMT topology	commit \| commitdiff \| tree
2018-02-27	Mark Abraham	Fix GPU utils test	commit \| commitdiff \| tree
2018-02-26	Mark Abraham	Permit define .mdp field to assign values	commit \| commitdiff \| tree
2018-02-26	Mark Abraham	Organize for recording 2016-era release notes and add...	commit \| commitdiff \| tree
2018-02-23	Berk Hess	Fix md integrator with Nose-Hoover coupling	commit \| commitdiff \| tree
2018-02-16	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2018-02-16	Mark Abraham	Bumped patch version for next release	commit \| commitdiff \| tree
2018-02-16	Berk Hess	Correct multisim MPI barrier	commit \| commitdiff \| tree
2018-02-16	Mark Abraham	Version 2016.5	commit \| commitdiff \| tree
2018-02-14	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2018-02-14	Berk Hess	Fix range bug in add_selection_groups in tngio.cpp	commit \| commitdiff \| tree
2018-02-14	Berk Hess	Fix grompp net charge check	commit \| commitdiff \| tree
2018-02-14	Berk Hess	Fix grompp net charge check	commit \| commitdiff \| tree
2018-02-14	Mark Abraham	Prepare release notes for 2018.1	commit \| commitdiff \| tree
2018-02-13	Mark Abraham	Use death test only when supported	commit \| commitdiff \| tree
2018-02-08	Mark Abraham	Merge "Merge branch release-2016 into release-2018...	commit \| commitdiff \| tree
2018-02-08	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2018-02-06	Mark Abraham	Prevent log file energy average printing dividing by...	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Move Windows icc config to post-submit testing	commit \| commitdiff \| tree
2018-01-18	Berk Hess	Fix COMM removal on part of the system	commit \| commitdiff \| tree
2018-01-17	Aleksei Iupinov	Fix box scaling in PME mixed mode	commit \| commitdiff \| tree
2018-01-17	Berk Hess	Re-enable GPU with walls and 1 energy group	commit \| commitdiff \| tree
2018-01-16	Berk Hess	Avoid mdrun echoing "No option -multi"	commit \| commitdiff \| tree
2018-01-11	Mark Abraham	Bumped version for next patch release	commit \| commitdiff \| tree
2018-01-11	Mark Abraham	Version 2018	commit \| commitdiff \| tree
2018-01-11	Mark Abraham	Announce in user log files that features are deprecated.	commit \| commitdiff \| tree
2018-01-11	Roland Schulz	Fix GMX_ENABLE_AVX512_TESTS being internal	commit \| commitdiff \| tree
2018-01-10	Mark Abraham	Fix automated GPU ID assignment	commit \| commitdiff \| tree
2018-01-10	Szilárd Páll	User guide updates to GPU section	commit \| commitdiff \| tree
2018-01-10	Szilárd Páll	Release notes tweaks	commit \| commitdiff \| tree
2018-01-10	Mark Abraham	Add release notes to source repo	commit \| commitdiff \| tree
2018-01-10	Erik Lindahl	Improve pdb2gmx for nonstandard residue types	commit \| commitdiff \| tree
2018-01-10	Szilárd Páll	Install guide updates	commit \| commitdiff \| tree
2018-01-10	Szilárd Páll	Environment variable docs maintenance	commit \| commitdiff \| tree
2018-01-10	Aleksei Iupinov	Do not print PME counter breakdown if it's empty	commit \| commitdiff \| tree
2018-01-10	Mark Abraham	Handle erroneous command line args better	commit \| commitdiff \| tree
2018-01-10	Erik Lindahl	Clarified gmx rmsf documentation	commit \| commitdiff \| tree
2018-01-09	Mark Abraham	Clean up user guide for release	commit \| commitdiff \| tree
2018-01-09	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2018-01-09	Berk Hess	Do not turn on DLB at replica exchange	commit \| commitdiff \| tree
2018-01-04	Erik Lindahl	Implement changes for CMake policy 0068	commit \| commitdiff \| tree
2018-01-04	Mark Abraham	Add test config of GPU build on slave without GPU	commit \| commitdiff \| tree
2018-01-04	Paul Bauer	Fix gmx msd when using COM removal and molecules	commit \| commitdiff \| tree
2018-01-03	Erik Lindahl	Fix index error in gmx chi	commit \| commitdiff \| tree
2018-01-03	Paul Bauer	Correct dihedral restraint section in Manual	commit \| commitdiff \| tree
2018-01-03	Erik Lindahl	Avoid FTZ triggering simd test failures	commit \| commitdiff \| tree
2018-01-02	Erik Lindahl	Fix OpenCL compiles on Mac OS	commit \| commitdiff \| tree
2018-01-02	Erik Lindahl	Improve manual from comments by Gang Liu	commit \| commitdiff \| tree
2018-01-02	Erik Lindahl	Make it explicit that time units apply to begin/end...	commit \| commitdiff \| tree
2018-01-02	Erik Lindahl	Don't require matching names between rtp and tdb files	commit \| commitdiff \| tree
2018-01-02	Erik Lindahl	Don't write reference pull group 0 to log	commit \| commitdiff \| tree
2017-12-30	Mark Abraham	First release candidate for version 2018	commit \| commitdiff \| tree
2017-12-26	Erik Lindahl	Fix builds on ARM & clarify (ARM) GPU support	commit \| commitdiff \| tree
2017-12-22	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2017-12-21	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-12-21	Mark Abraham	Bump minor version for theoretical new release	commit \| commitdiff \| tree
2017-12-21	Pascal Merz	Documentation and fixes for physical validation	commit \| commitdiff \| tree
2017-12-21	Mark Abraham	Update double-precision test configurations	commit \| commitdiff \| tree
2017-12-21	Roland Schulz	Update checks for BuildOwnFFT	commit \| commitdiff \| tree
2017-12-20	Mark Abraham	Use new defaultRealTolerance() to stabilise some tests	commit \| commitdiff \| tree
2017-12-20	Mark Abraham	Merge "Merge branch release-2016 into release-2018...	commit \| commitdiff \| tree
2017-12-20	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2017-12-19	Mark Abraham	Third beta release of 2018	commit \| commitdiff \| tree
2017-12-19	Mark Abraham	Fix table tests and improve table construction	commit \| commitdiff \| tree
2017-12-19	Berk Hess	Make oversubscription warning consistent	commit \| commitdiff \| tree
2017-12-19	Carsten Kutzner	Fix electric field .mdp documentation	commit \| commitdiff \| tree
2017-12-19	Erik Lindahl	Use reduced default tolerances for tpx comparison	commit \| commitdiff \| tree
2017-12-18	Roland Schulz	Fix cmake error with emacs lock files in place	commit \| commitdiff \| tree
2017-12-17	Roland Schulz	Change avx_128_fma build to double	commit \| commitdiff \| tree
2017-12-17	Roland Schulz	Support Simd4N for SimdRealWidth<4	commit \| commitdiff \| tree
2017-12-14	Erik Lindahl	Fix PBC error in gmx_spatial	commit \| commitdiff \| tree
2017-12-14	Mark Abraham	Merge "Merge branch release-2016 into release-2018...	commit \| commitdiff \| tree
2017-12-12	Erik Lindahl	Disallow ascii formats for gmx trjcat	commit \| commitdiff \| tree
2017-12-12	Mark Abraham	Improve grompp missing-parameters error message	commit \| commitdiff \| tree
2017-12-12	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2017-12-11	Mark Abraham	Second beta release of 2018	commit \| commitdiff \| tree
2017-12-11	Erik Lindahl	Remove duplicated lines from OPLS ffbonded.itp	commit \| commitdiff \| tree
2017-12-11	Roland Schulz	Replace intrinsic with inline asm for AVX512 unit test	commit \| commitdiff \| tree
2017-12-11	Erik Lindahl	Don't warn about NVML clocks that are at max	commit \| commitdiff \| tree
2017-12-11	Berk Hess	Add grompp note for PR pcouple + position restraints	commit \| commitdiff \| tree
2017-12-10	Erik Lindahl	Revert "Disable default-on NVML support in CMake"	commit \| commitdiff \| tree
2017-12-07	Erik Lindahl	Added cool quote from Viveca's defense	commit \| commitdiff \| tree
next

The ultimate molecular dynamics simulation package

RSS Atom