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

biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog

2017-07-04	Mark Abraham	Clean up pick_nbnxn_resources	commit \| commitdiff \| tree \| snapshot
2017-07-03	Berk Hess	Remove gmx_constexpr	commit \| commitdiff \| tree \| snapshot
2017-07-01	Mark Abraham	Cleaned up GPU emulation logic	commit \| commitdiff \| tree \| snapshot
2017-06-30	Aleksei Iupinov	Remove outdated cmake nvcc logic	commit \| commitdiff \| tree \| snapshot
2017-06-30	M. Eric Irrgang	Mark unmodified input parameter as const.	commit \| commitdiff \| tree \| snapshot
2017-06-30	Teemu Murtola	Fix boolean serialization	commit \| commitdiff \| tree \| snapshot
2017-06-30	Teemu Murtola	Extend key-value tree comparison and tests	commit \| commitdiff \| tree \| snapshot
2017-06-29	M. Eric Irrgang	Mark unmodified input parameter const	commit \| commitdiff \| tree \| snapshot
2017-06-29	Teemu Murtola	Generalize IForceProvider	commit \| commitdiff \| tree \| snapshot
2017-06-28	Teemu Murtola	Extend key-value tree serialization and tests	commit \| commitdiff \| tree \| snapshot
2017-06-28	Mark Abraham	Cleaned up high-level boolean variable naming	commit \| commitdiff \| tree \| snapshot
2017-06-28	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree \| snapshot
2017-06-28	Roland Schulz	Merge "Merge branch release-2016"	commit \| commitdiff \| tree \| snapshot
2017-06-28	Roland Schulz	Fix ICC workaround for C++11 feature check	commit \| commitdiff \| tree \| snapshot
2017-06-27	Teemu Murtola	Do not use conf-man.py for non-manpage doc builds	commit \| commitdiff \| tree \| snapshot
2017-06-27	Roland Schulz	Merge branch release-2016	commit \| commitdiff \| tree \| snapshot
2017-06-27	Mark Abraham	Minor improvements to test configs	commit \| commitdiff \| tree \| snapshot
2017-06-26	Erik Lindahl	Fix ARM NEON simd debug builds	commit \| commitdiff \| tree \| snapshot
2017-06-26	Szilárd Páll	Add ARM_NEON_ASIMD post-submit test	commit \| commitdiff \| tree \| snapshot
2017-06-26	Jiri Kraus	Updated application clock handling on Pascal+ GPUs	commit \| commitdiff \| tree \| snapshot
2017-06-23	Carsten Kutzner	Fixed #2206 IMD interface malfunctions	commit \| commitdiff \| tree \| snapshot
2017-06-22	Mark Abraham	Consolidated logic for choosing number of thread-MPI...	commit \| commitdiff \| tree \| snapshot
2017-06-22	Mark Abraham	Replace misnamed nbnxn_gpu_acceleration_supported	commit \| commitdiff \| tree \| snapshot
2017-06-22	Mark Abraham	Consolidate and fix logic for mdrun -nb and -gpuid	commit \| commitdiff \| tree \| snapshot
2017-06-21	Szilárd Páll	Re-enable lost DD warning + minor code modernization	commit \| commitdiff \| tree \| snapshot
2017-06-21	Mark Abraham	Reform ngpu variable	commit \| commitdiff \| tree \| snapshot
2017-06-21	Mark Abraham	Remove bUserSetGpuIds field	commit \| commitdiff \| tree \| snapshot
2017-06-20	Szilárd Páll	Re-enable accidentally lost DD warning	commit \| commitdiff \| tree \| snapshot
2017-06-20	Szilárd Páll	Refactoring + clarification of DLB state handling	commit \| commitdiff \| tree \| snapshot
2017-06-17	Berk Hess	Add tolerance to calc_verletbuf test	commit \| commitdiff \| tree \| snapshot
2017-06-16	Carsten Kutzner	Fixed a consistency check in make_edi for flooding	commit \| commitdiff \| tree \| snapshot
2017-06-15	Szilárd Páll	Allow disabling the explicit use of CUDA textures	commit \| commitdiff \| tree \| snapshot
2017-06-14	Mark Abraham	Simplify reporting from init_gpu	commit \| commitdiff \| tree \| snapshot
2017-06-13	Erik Lindahl	More quotes	commit \| commitdiff \| tree \| snapshot
2017-06-12	Berk Hess	Fix null pointer print in DD	commit \| commitdiff \| tree \| snapshot
2017-06-12	Mark Abraham	Move gmx_parse_gpu_id out of checking function	commit \| commitdiff \| tree \| snapshot
2017-06-12	Aleksei Iupinov	Store a physical node communicator in t_commrec	commit \| commitdiff \| tree \| snapshot
2017-06-11	Magnus Lundborg	Updated TNG to version 1.8	commit \| commitdiff \| tree \| snapshot
2017-06-10	Berk Hess	Put replica exchange parameters in a struct	commit \| commitdiff \| tree \| snapshot
2017-06-09	Carsten Kutzner	Moved essential dynamics initialization call into do_md()	commit \| commitdiff \| tree \| snapshot
2017-06-09	Berk Hess	Replace iso by instead of	commit \| commitdiff \| tree \| snapshot
2017-06-09	Carsten Kutzner	Adopt and document implementation policy for MD modules	commit \| commitdiff \| tree \| snapshot
2017-06-08	Berk Hess	Fix COM pull force with SD	commit \| commitdiff \| tree \| snapshot
2017-06-07	Berk Hess	Avoid grompp charge warning with rounding	commit \| commitdiff \| tree \| snapshot
2017-06-07	Vedran Miletić	Document floating-point arithmetic	commit \| commitdiff \| tree \| snapshot
2017-06-07	Vedran Miletić	Expand Performance section of the user guide	commit \| commitdiff \| tree \| snapshot
2017-06-07	Szilárd Páll	Suppress sm_2x deprecation warning with CUDA 8.0	commit \| commitdiff \| tree \| snapshot
2017-06-05	Szilárd Páll	Add CUDA 8.0 + SIMD pre-submit test	commit \| commitdiff \| tree \| snapshot
2017-06-04	Berk Hess	Fix checkpoint reading without energy history	commit \| commitdiff \| tree \| snapshot
2017-06-02	Berk Hess	Fix initial temperature reporting	commit \| commitdiff \| tree \| snapshot
2017-06-02	Szilárd Páll	Add ARM_NEON post-submit test	commit \| commitdiff \| tree \| snapshot
2017-05-31	Mark Abraham	New quote	commit \| commitdiff \| tree \| snapshot
2017-05-30	Mark Abraham	Fix NVML error messages	commit \| commitdiff \| tree \| snapshot
2017-05-29	Jiri Kraus	Update FindNVML to fix #2061	commit \| commitdiff \| tree \| snapshot
2017-05-29	Teemu Murtola	Avoid some incorrect behavior with gmx solvate	commit \| commitdiff \| tree \| snapshot
2017-05-29	Teemu Murtola	Remove pbcutil <-> mdtypes cyclic dependency	commit \| commitdiff \| tree \| snapshot
2017-05-29	Vedran Miletić	Standardize use of \|Gromacs\| in reST docs	commit \| commitdiff \| tree \| snapshot
2017-05-29	Szilárd Páll	Quotes are cool, typo-free ones are even "cooler"	commit \| commitdiff \| tree \| snapshot
2017-05-27	Berk Hess	Made duplicate atoms in bondeds an error	commit \| commitdiff \| tree \| snapshot
2017-05-27	Mark Abraham	Quotes from Gottingen workshop	commit \| commitdiff \| tree \| snapshot
2017-05-26	Berk Hess	Improve Verlet buffer constraint estimate	commit \| commitdiff \| tree \| snapshot
2017-05-26	Mark Abraham	Test invsixthroot function as intended	commit \| commitdiff \| tree \| snapshot
2017-05-23	Erik Lindahl	Updated cool quotes	commit \| commitdiff \| tree \| snapshot
2017-05-23	Berk Hess	Add conserved quantity for Berendsen P-couple	commit \| commitdiff \| tree \| snapshot
2017-05-23	Szilárd Páll	Add basic doxygen for the Verlet nonbonded module	commit \| commitdiff \| tree \| snapshot
2017-05-23	Berk Hess	Add conserved q. for PR and Berendsen T-couple	commit \| commitdiff \| tree \| snapshot
2017-05-23	Berk Hess	Make DD setup obey PME restrictions	commit \| commitdiff \| tree \| snapshot
2017-05-22	Roland Schulz	Remove TMPI_ATOMICS from config.h	commit \| commitdiff \| tree \| snapshot
2017-05-22	Berk Hess	Introduce ObservablesHistory container	commit \| commitdiff \| tree \| snapshot
2017-05-16	Berk Hess	Fix confout.gro with energy minimization	commit \| commitdiff \| tree \| snapshot
2017-05-15	Mark Abraham	Updated use of compiler specifiers in testing	commit \| commitdiff \| tree \| snapshot
2017-05-15	Mark Abraham	Updated use of gcc-5 specifiers	commit \| commitdiff \| tree \| snapshot
2017-05-15	Mark Abraham	Update clang static analyzer slave to use version 4	commit \| commitdiff \| tree \| snapshot
2017-05-15	Berk Hess	Fix LJPME + switch grompp error	commit \| commitdiff \| tree \| snapshot
2017-05-14	Mark Abraham	Update clang-4	commit \| commitdiff \| tree \| snapshot
2017-05-14	Justin Lemkul	Clarifications to editconf help text.	commit \| commitdiff \| tree \| snapshot
2017-05-14	Justin Lemkul	Clarifications to editconf help text.	commit \| commitdiff \| tree \| snapshot
2017-05-14	Berk Hess	Fix bugs in double Simd4 implementations	commit \| commitdiff \| tree \| snapshot
2017-05-11	Roland Schulz	Remove static-intel from default flags	commit \| commitdiff \| tree \| snapshot
2017-05-11	Teemu Murtola	Generalize command-line test output file checking	commit \| commitdiff \| tree \| snapshot
2017-05-09	Mark Abraham	Fix formatting of MKL cmake docs	commit \| commitdiff \| tree \| snapshot
2017-05-09	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree \| snapshot
2017-05-09	Mark Abraham	Cleaned up memory usage in gmx traj and trjconv	commit \| commitdiff \| tree \| snapshot
2017-05-01	David van der...	Xpm test for gmx clustsize	commit \| commitdiff \| tree \| snapshot
2017-04-29	Carsten Kutzner	Minor header file cleanup in ED, IMD and CompEL modules	commit \| commitdiff \| tree \| snapshot
2017-04-22	M. Eric Irrgang	ignore OS X Finder metadata	commit \| commitdiff \| tree \| snapshot
2017-04-22	M. Eric Irrgang	sort ignored file extensions	commit \| commitdiff \| tree \| snapshot
2017-04-22	M. Eric Irrgang	ignore g++ precompiler header output	commit \| commitdiff \| tree \| snapshot
2017-04-22	Mark Abraham	Clean up memory usage with oenv and xvg writing	commit \| commitdiff \| tree \| snapshot
2017-04-21	Berk Hess	Fix bugs in double AVX(2)_256 Simd4	commit \| commitdiff \| tree \| snapshot
2017-04-19	Carsten Kutzner	Remove unused forward declarations of t_commrec in...	commit \| commitdiff \| tree \| snapshot
2017-04-19	Berk Hess	Fix unused SIMD PME table kernel	commit \| commitdiff \| tree \| snapshot
2017-04-18	Berk Hess	Suppress two compiler warnings	commit \| commitdiff \| tree \| snapshot
2017-04-17	Erik Lindahl	Fixed AVX-512F compiler flags	commit \| commitdiff \| tree \| snapshot
2017-04-17	Mark Abraham	Minor change to GPU compatibility reporting handling	commit \| commitdiff \| tree \| snapshot
2017-04-17	Mark Abraham	Propose a post-submit matrix	commit \| commitdiff \| tree \| snapshot
2017-04-17	Teemu Murtola	Consistent approach for whole-program tests	commit \| commitdiff \| tree \| snapshot
2017-04-11	Teemu Murtola	Improve key-value tree gmx dump support	commit \| commitdiff \| tree \| snapshot
2017-04-10	Vedran Miletić	Really enable avx512 in fftw only for select compilers	commit \| commitdiff \| tree \| snapshot
2017-04-06	Teemu Murtola	Fix memory access issues in gmx solvate	commit \| commitdiff \| tree \| snapshot
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