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2018-03-28	Berk Hess	Remove mols from gmx_mtop_t	commit \| commitdiff \| tree
2018-03-21	David van der Spoel	Renamed entropy.* to thermochemistry.*	commit \| commitdiff \| tree
2018-03-20	Mark Abraham	Update use of gpu_id in Jenkins	commit \| commitdiff \| tree
2018-03-20	Mark Abraham	Add helper function to make a vector from an ArrayRef	commit \| commitdiff \| tree
2018-03-16	Paul Bauer	Only free topology when allocated	commit \| commitdiff \| tree
2018-03-14	Mark Abraham	Make a persistent physical node communicator	commit \| commitdiff \| tree
2018-03-13	Szilárd Páll	Require OpenCL 1.2	commit \| commitdiff \| tree
2018-03-13	Mark Abraham	Introduce constrain_shake	commit \| commitdiff \| tree
2018-03-13	Mark Abraham	Merge "Merge branch release-2018"	commit \| commitdiff \| tree
2018-03-06	Berk Hess	Convert t_filenm to C++	commit \| commitdiff \| tree
2018-03-06	Mark Abraham	Merge branch release-2018	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
2018-02-28	Mark Abraham	Moved and removed constraint code	commit \| commitdiff \| tree
2018-02-28	Mark Abraham	Reorganized constraint code	commit \| commitdiff \| tree
2018-02-27	Mark Abraham	Fix GPU utils test	commit \| commitdiff \| tree
2018-02-26	Paul Bauer	Change TNG file opening	commit \| commitdiff \| tree
2018-02-26	Mark Abraham	Permit define .mdp field to assign values	commit \| commitdiff \| tree
2018-02-26	Aleksei Iupinov	Advice users on infinite output of TPI	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
2018-02-21	Mark Abraham	Enhanced docs of pimpl pointer helper	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	Merge branch release-2018 into master	commit \| commitdiff \| tree
2018-02-16	Mark Abraham	Version 2016.5	commit \| commitdiff \| tree
2018-02-15	Mark Abraham	Use struct for checkpoint header contents	commit \| commitdiff \| tree
2018-02-15	Aleksei Iupinov	Update FFTW build to 3.3.7	commit \| commitdiff \| tree
2018-02-14	Mark Abraham	Remove read_checkpoint_state	commit \| commitdiff \| tree
2018-02-14	Berk Hess	Remove support for tpx version before 58/gmx4.0	commit \| commitdiff \| tree
2018-02-14	Mark Abraham	Use std::vector for checkpoint outputfiles	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	Aleksei Iupinov	Replace the remaining EXPECT_DEATH with EXPECT_DEATH_IF_SUPP...	commit \| commitdiff \| tree
2018-02-14	Aleksei Iupinov	Add DeviceBuffer as a typedef for cl_mem/device ponter	commit \| commitdiff \| tree
2018-02-14	Szilárd Páll	Remove barriers preventing texture reference races	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
2018-02-13	Mark Abraham	Separate multisim from commrec	commit \| commitdiff \| tree
2018-02-12	Mark Abraham	Analyse threads on node before setting affinities	commit \| commitdiff \| tree
2018-02-12	Mark Abraham	Fix reading old force field files	commit \| commitdiff \| tree
2018-02-09	Mark Abraham	Merge branch release-2018	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
2018-02-08	Aleksei Iupinov	Enable debug FP exceptions without TPI, not with TPI	commit \| commitdiff \| tree
2018-02-08	Mark Abraham	Merge "Merge branch 'release-2018' into master"	commit \| commitdiff \| tree
2018-02-06	Mark Abraham	Prevent log file energy average printing dividing by...	commit \| commitdiff \| tree
2018-02-02	Aleksei Iupinov	Don't print impossible CUDA version numbers in absence...	commit \| commitdiff \| tree
2018-02-01	Paul Bauer	Add information for n2t file format	commit \| commitdiff \| tree
2018-01-27	Mark Abraham	Remove unused declaration	commit \| commitdiff \| tree
2018-01-25	Mark Abraham	Remove unused fields of t_commrec	commit \| commitdiff \| tree
2018-01-25	Mark Abraham	Reduced includes of common headers in headers	commit \| commitdiff \| tree
2018-01-25	Mark Abraham	Removed mdrun -multi	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Change multi-sim tests to use -multidir	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Remove gmx_inline	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Teach include sorter to ignore cmake-test files	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Move Windows icc config to post-submit testing	commit \| commitdiff \| tree
2018-01-24	Mark Abraham	Replace gmx_bool with bool in bitmask functions	commit \| commitdiff \| tree
2018-01-23	Mark Abraham	Remove support for implicit solvation	commit \| commitdiff \| tree
2018-01-23	Mark Abraham	Remove topology support for implicit solvation	commit \| commitdiff \| tree
2018-01-23	Aleksei Iupinov	Test PME CPU/GPU with walls and box scaling	commit \| commitdiff \| tree
2018-01-23	Aleksei Iupinov	Wrap the PME testing loop in a method for extensibility	commit \| commitdiff \| tree
2018-01-23	Mark Abraham	Preliminary cleanup before removing ifdef cplusplus	commit \| commitdiff \| tree
2018-01-19	Aleksei Iupinov	Add a death test for the duplicate inputrec keys checking	commit \| commitdiff \| tree
2018-01-19	Mark Abraham	Merge "Merge branch 'release-2018' into master"	commit \| commitdiff \| tree
2018-01-19	Aleksei Iupinov	Rename class BiasReader to struct BiasOutputSetup	commit \| commitdiff \| tree
2018-01-19	Mark Abraham	Add dev-guide docs for automatic update of regressiontests	commit \| commitdiff \| tree
2018-01-19	Aleksei Iupinov	Make the reference data variables local in GetIrTest	commit \| commitdiff \| tree
2018-01-19	Mark Abraham	Fixes for issues found by clang 6	commit \| commitdiff \| tree
2018-01-18	Mark Abraham	Remove support for BlueGene	commit \| commitdiff \| tree
2018-01-18	Berk Hess	Fix COMM removal on part of the system	commit \| commitdiff \| tree
2018-01-18	Paul Bauer	Add contribution information to webpage	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	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
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