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2019-05-23	Berk Hess	Fix SHAKE dH/dlambda contributions	commit \| commitdiff \| tree
2019-02-20	Berk Hess	Fix mass Delta H double counting	commit \| commitdiff \| tree
2019-02-20	Berk Hess	Fix incorrect LJ repulsion force switching on GPUs	commit \| commitdiff \| tree
2019-01-30	Mark Abraham	Fix release notes issue links	commit \| commitdiff \| tree
2019-01-22	Christoph Junghans	gmxManageLmfit.cmake: enforce usage of 7.0	commit \| commitdiff \| tree
2019-01-21	Szilárd Páll	Add CUDA CC 7.5 (Turing) support with nvcc	commit \| commitdiff \| tree
2019-01-16	Mark Abraham	Migrate test configuration off bs_mac	commit \| commitdiff \| tree
2018-11-20	Mark Abraham	Partial revert of "Fix inefficient shell minimization"	commit \| commitdiff \| tree
2018-11-15	Mark Abraham	Fix checkpoint restart of tpr with infinite step count	commit \| commitdiff \| tree
2018-11-11	David van der Spoel	Fix entropy calculation in gmx anaeig	commit \| commitdiff \| tree
2018-11-09	David van der Spoel	Change get_atom_index to allow multiple molecules.	commit \| commitdiff \| tree
2018-11-08	Paul Bauer	Issue fatal error if checkpoint does not suit the .tpr	commit \| commitdiff \| tree
2018-10-31	Berk Hess	Work around expanded ensemble issues	commit \| commitdiff \| tree
2018-10-26	Berk Hess	Add missing mass term to deltaH	commit \| commitdiff \| tree
2018-10-11	Paul Bauer	Add short security notice	commit \| commitdiff \| tree
2018-09-04	Mark Abraham	Clarify initial DD cell choice with pressure coupling	commit \| commitdiff \| tree
2018-08-24	Mark Abraham	Fix build without TNG	commit \| commitdiff \| tree
2018-08-22	Paul Bauer	Fix trjconv when running without a structure file	commit \| commitdiff \| tree
2018-08-20	Berk Hess	Refactor calc_verlet_buffer_size()	commit \| commitdiff \| tree
2018-08-20	Szilárd Páll	Disable single compilation unit with CUDA 9.0	commit \| commitdiff \| tree
2018-08-20	Berk Hess	Fix Verlet buffer estimate with BD	commit \| commitdiff \| tree
2018-08-20	Berk Hess	Fix assertion failure in CG	commit \| commitdiff \| tree
2018-08-20	Berk Hess	Really fix CG with multiple domains	commit \| commitdiff \| tree
2018-08-14	Mark Abraham	Fix enforced rotation energy output	commit \| commitdiff \| tree
2018-07-30	Mark Abraham	Fix CG with multiple domains	commit \| commitdiff \| tree
2018-07-30	Paul Bauer	Fix bfactor output	commit \| commitdiff \| tree
2018-07-29	Szilárd Páll	Corrections to the user guide mdrun perf section	commit \| commitdiff \| tree
2018-07-18	Mark Abraham	Fix pre-submit matrix	commit \| commitdiff \| tree
2018-06-14	Mark Abraham	Updated to prepare for 2018.3 release	commit \| commitdiff \| tree
2018-06-14	Mark Abraham	Version 2018.2	commit \| commitdiff \| tree
2018-06-13	Mark Abraham	Fix premature reporting of action when GPUs are not...	commit \| commitdiff \| tree
2018-06-13	Mark Abraham	Update top-level README	commit \| commitdiff \| tree
2018-06-13	Mark Abraham	Fixed documentation typo	commit \| commitdiff \| tree
2018-06-12	Berk Hess	Add AWH continuation consistency checking	commit \| commitdiff \| tree
2018-06-12	Mark Abraham	More fixes to suit gcc 8 for double build	commit \| commitdiff \| tree
2018-06-12	Szilárd Páll	Also issue OMP_NUM_THREADS reading note to the log	commit \| commitdiff \| tree
2018-06-12	Viveca Lindahl	Changed histogram check interval for multidimensional...	commit \| commitdiff \| tree
2018-06-12	Berk Hess	Add fatal error for inconsistent graph	commit \| commitdiff \| tree
2018-06-12	Berk Hess	Avoid COM removal moving frozen atoms	commit \| commitdiff \| tree
2018-06-12	Berk Hess	Remove constraint v correction for frozen atoms	commit \| commitdiff \| tree
2018-06-06	Berk Hess	Fix MPI inconsistency in EM after constraint failure	commit \| commitdiff \| tree
2018-05-22	Aleksei Iupinov	Remove unused results of cudaStreamQuery()	commit \| commitdiff \| tree
2018-04-10	Aleksei Iupinov	Prevent OpenCL timing memory leak	commit \| commitdiff \| tree
2018-04-03	Mark Abraham	Remove leftover mention of twin-range scheme	commit \| commitdiff \| tree
2018-03-27	Mark Abraham	Clarified mdp options relating to bonds	commit \| commitdiff \| tree
2018-03-27	Mark Abraham	More gcc-8 fixes for POWER	commit \| commitdiff \| tree
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
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