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2018-01-18	Paul Bauer	Add contribution information to webpage	commit \| commitdiff \| tree
2018-01-17	Berk Hess	Re-enable GPU with walls and 1 energy group	commit \| commitdiff \| tree
2018-01-16	Mark Abraham	Merge "Merge release-2018 into master"	commit \| commitdiff \| tree
2018-01-16	Roland Schulz	Merge release-2018 into master	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	Mark Abraham	Merge branch release-2018	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
2017-12-07	Roland Schulz	Fix AWH test accuracy	commit \| commitdiff \| tree
2017-12-07	Berk Hess	Choose faster nbnxn SIMD kernels on AMD Zen	commit \| commitdiff \| tree
2017-12-07	Roland Schulz	Fix exp test for ICC in double	commit \| commitdiff \| tree
2017-12-07	Roland Schulz	Fix RelWithAssert with ICC	commit \| commitdiff \| tree
2017-12-07	Aleksei Iupinov	Relaxed precision in spline interpolation tests	commit \| commitdiff \| tree
2017-12-06	Szilárd Páll	Implement alternating GPU wait	commit \| commitdiff \| tree
2017-12-05	Aleksei Iupinov	Do not accept unsupported combination "-pme cpu -pmefft...	commit \| commitdiff \| tree
2017-12-05	Roland Schulz	Fix ArrayRef<SimdDInt32> for SSE/AVX128	commit \| commitdiff \| tree
2017-12-05	Mark Abraham	Update testing to include cmake 3.10.0	commit \| commitdiff \| tree
2017-12-05	Magnus Lundborg	SIMD accelerated Urey-Bradley	commit \| commitdiff \| tree
2017-12-05	Berk Hess	Fix DD exact continuation bug	commit \| commitdiff \| tree
2017-12-04	Mark Abraham	Fix free_gpu	commit \| commitdiff \| tree
2017-12-04	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree
2017-12-04	Berk Hess	Update mdrun signal help text	commit \| commitdiff \| tree
2017-12-04	Berk Hess	Only stop at nstlist steps with -reprod	commit \| commitdiff \| tree
2017-12-04	Erik Lindahl	Fix compilation issues for AVX-512	commit \| commitdiff \| tree
2017-11-28	Mark Abraham	GROMACS 2018 first beta release	commit \| commitdiff \| tree
2017-11-28	Berk Hess	Refactor nbnxn exclusion setting	commit \| commitdiff \| tree
2017-11-28	Erik Lindahl	Improve status messages for SIMD checks	commit \| commitdiff \| tree
2017-11-27	Szilárd Páll	Time FFT/gather in mixed mode	commit \| commitdiff \| tree
2017-11-27	Aleksei Iupinov	Disable failing separate PME rank tests	commit \| commitdiff \| tree
2017-11-27	Paul Bauer	Add GPU task information to user-guide	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Enable separate PME GPU rank	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Activate mixed mode of PME on GPU	commit \| commitdiff \| tree
2017-11-24	Szilárd Páll	Add GPU sharing post-submit config	commit \| commitdiff \| tree
2017-11-24	Mark Abraham	Update developer guide	commit \| commitdiff \| tree
2017-11-24	Mark Abraham	Activate PME on GPUs	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Remove outdated (already implemented) pinning TODO	commit \| commitdiff \| tree
2017-11-24	Mark Abraham	Add PME integration test	commit \| commitdiff \| tree
2017-11-24	Mark Abraham	Extend task assignment code	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Mention gmx_install_headers() in the developer manual	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Make FFT real-space grid use CUDA pinning for mixed...	commit \| commitdiff \| tree
2017-11-24	Aleksei Iupinov	Pin coordinates, forces and charges for PME on GPU	commit \| commitdiff \| tree
2017-11-22	Pascal Merz	Proof of concept: Physical validation suite	commit \| commitdiff \| tree
2017-11-21	Erik Lindahl	Separate SIMD flag detection from management	commit \| commitdiff \| tree
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