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

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2017-06-11	Magnus Lundborg	Updated TNG to version 1.8	commit \| commitdiff \| tree
2017-05-31	Mark Abraham	New quote	commit \| commitdiff \| tree
2017-05-29	Teemu Murtola	Avoid some incorrect behavior with gmx solvate	commit \| commitdiff \| tree
2017-05-29	Teemu Murtola	Remove pbcutil <-> mdtypes cyclic dependency	commit \| commitdiff \| tree
2017-05-15	Mark Abraham	Updated use of compiler specifiers in testing	commit \| commitdiff \| tree
2017-05-15	Mark Abraham	Update clang static analyzer slave to use version 4	commit \| commitdiff \| tree
2017-05-14	Mark Abraham	Update clang-4	commit \| commitdiff \| tree
2017-05-14	Justin Lemkul	Clarifications to editconf help text.	commit \| commitdiff \| tree
2017-05-09	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-05-09	Mark Abraham	Cleaned up memory usage in gmx traj and trjconv	commit \| commitdiff \| tree
2017-04-19	Berk Hess	Fix unused SIMD PME table kernel	commit \| commitdiff \| tree
2017-04-17	Mark Abraham	Minor change to GPU compatibility reporting handling	commit \| commitdiff \| tree
2017-04-17	Mark Abraham	Propose a post-submit matrix	commit \| commitdiff \| tree
2017-04-17	Teemu Murtola	Consistent approach for whole-program tests	commit \| commitdiff \| tree
2017-03-31	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-03-22	Mark Abraham	Add section to user guide for managing simulations	commit \| commitdiff \| tree
2017-03-17	M. Eric Irrgang	Add an extra verbose target for docs	commit \| commitdiff \| tree
2017-03-16	Szilárd Páll	Print code of unknown OpenCL error	commit \| commitdiff \| tree
2017-03-14	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-03-14	Mark Abraham	Bumped version to prepare for next patch release	commit \| commitdiff \| tree
2017-03-13	Mark Abraham	Version 2016.3	commit \| commitdiff \| tree
2017-03-13	Mark Abraham	Modernize write_inpfile	commit \| commitdiff \| tree
2017-03-13	Mark Abraham	Modernize read_inpfile	commit \| commitdiff \| tree
2017-03-13	Ake Sandgren	Fix tune_pme detection of GPU support	commit \| commitdiff \| tree
2017-03-13	Ake Sandgren	Fix spacing in tune_pme call to thread-mpi mdrun	commit \| commitdiff \| tree
2017-03-09	Szilárd Páll	Fix mdrun hanging upon exit with sep PME ranks	commit \| commitdiff \| tree
2017-03-07	Mark Abraham	Fix minor issues in gmx traj -av -af	commit \| commitdiff \| tree
2017-03-04	Teemu Murtola	Remove MDModules use from mdlib	commit \| commitdiff \| tree
2017-03-04	David van der Spoel	Removes rogue printing to xvg file in gmx mindist	commit \| commitdiff \| tree
2017-03-04	Teemu Murtola	Split md module facets to different interfaces	commit \| commitdiff \| tree
2017-03-04	Mark Abraham	Fixes for xl compilers 13.1.5 on Power8	commit \| commitdiff \| tree
2017-02-20	Mark Abraham	Add tests for old gmx energy functionality	commit \| commitdiff \| tree
2017-02-17	Mark Abraham	Use gmx::Mutex and gmx::lock_guard to fix some issues	commit \| commitdiff \| tree
2017-02-15	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-02-14	Mark Abraham	Reduce compilation coupling	commit \| commitdiff \| tree
2017-02-10	Mark Abraham	Corrected output of gmx do_dssp -sc	commit \| commitdiff \| tree
2017-02-09	Teemu Murtola	Multi-rank thread affinity tests	commit \| commitdiff \| tree
2017-02-09	Mark Abraham	Complete the removal of stateful RNG	commit \| commitdiff \| tree
2017-02-09	Mark Abraham	Improved state_change_natoms and used it more	commit \| commitdiff \| tree
2017-02-09	Teemu Murtola	Document key-value tree transforms and improve checks	commit \| commitdiff \| tree
2017-02-08	Mark Abraham	Extend serialization to gmx_int64_t	commit \| commitdiff \| tree
2017-02-08	Teemu Murtola	Generic KeyValueTree broadcast	commit \| commitdiff \| tree
2017-02-08	Teemu Murtola	Generic gmx check implementation with KeyValueTree	commit \| commitdiff \| tree
2017-02-08	Teemu Murtola	Generic gmx dump implementation for KeyValueTree	commit \| commitdiff \| tree
2017-02-08	Teemu Murtola	Generic tpr handling for electric field	commit \| commitdiff \| tree
2017-02-08	Aleksei Iupinov	PME force gathering tests	commit \| commitdiff \| tree
2017-02-08	Aleksei Iupinov	Fix invalid triclinic box in the PME test data	commit \| commitdiff \| tree
2017-02-08	Mark Abraham	Give MDModules responsibility for option handling	commit \| commitdiff \| tree
2017-02-07	Vedran Miletić	Document running Clang static analyzer manually	commit \| commitdiff \| tree
2017-02-07	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-02-07	Mark Abraham	Bumped version to prepare for next patch release	commit \| commitdiff \| tree
2017-02-07	Mark Abraham	Version 2016.2	commit \| commitdiff \| tree
2017-02-07	Berk Hess	Add mdp option check with decoupled modes	commit \| commitdiff \| tree
2017-02-05	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-02-03	Mark Abraham	Remove typedef struct in some mdtypes files	commit \| commitdiff \| tree
2017-01-31	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2017-01-24	Aleksei Iupinov	PME spline computation and charge spreading tests	commit \| commitdiff \| tree
2017-01-24	Szilárd Páll	Remove unused argument in GPU kernels	commit \| commitdiff \| tree
2017-01-24	Aleksei Iupinov	Add const qualifier to some PME spread arguments	commit \| commitdiff \| tree
2017-01-23	Mark Abraham	Stopped header files including state.h	commit \| commitdiff \| tree
2017-01-23	David van der Spoel	Added reference for dihedral function in OPLS.	commit \| commitdiff \| tree
2017-01-22	Mark Abraham	Fixed gmx rmsf -q -oq.	commit \| commitdiff \| tree
2017-01-21	Mark Abraham	Removed init_state	commit \| commitdiff \| tree
2017-01-20	Berk Hess	Disallow overwriting of dihedral type 9	commit \| commitdiff \| tree
2017-01-19	Aleksei Iupinov	PME B-Spline moduli computation unit test	commit \| commitdiff \| tree
2017-01-19	Berk Hess	Fix PME order and grid size checks	commit \| commitdiff \| tree
2017-01-18	Roland Schulz	Add AlignedArray	commit \| commitdiff \| tree
2017-01-14	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2017-01-06	Mark Abraham	Document ISerializer class	commit \| commitdiff \| tree
2017-01-05	Roland Schulz	Fix unitialized memory access	commit \| commitdiff \| tree
2017-01-04	Mark Abraham	Stop trying to use objdump --reloc on Mac	commit \| commitdiff \| tree
2017-01-04	Mark Abraham	Fix documentation of OptionsVisitor	commit \| commitdiff \| tree
2017-01-03	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2016-12-20	Mark Abraham	Corrected documentation about eigenvalue handling	commit \| commitdiff \| tree
2016-12-20	Mark Abraham	Sanitize some include headers	commit \| commitdiff \| tree
2016-12-20	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2016-12-10	Teemu Murtola	Build scripts for improved release workflow	commit \| commitdiff \| tree
2016-12-09	Mark Abraham	Remove nxframe from t_trxstatus	commit \| commitdiff \| tree
2016-12-09	Szilárd Páll	Turn off hwloc support when static lib found	commit \| commitdiff \| tree
2016-12-08	Berk Hess	Made mdrun -pforce terminate with non-finite forces	commit \| commitdiff \| tree
2016-12-08	Teemu Murtola	Fix possible memory error with long selections	commit \| commitdiff \| tree
2016-12-08	Mark Abraham	Consolidate files supporting TNG file I/O	commit \| commitdiff \| tree
2016-12-07	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2016-12-07	David van der Spoel	Couple of new quotes	commit \| commitdiff \| tree
2016-12-07	Teemu Murtola	Fix use of position variables with plus/merge	commit \| commitdiff \| tree
2016-12-07	Mark Abraham	Fix memory handling in gmx dump of TNG files	commit \| commitdiff \| tree
2016-12-05	Mark Abraham	Remove undue narrowing of integer in TNG reading	commit \| commitdiff \| tree
2016-12-01	Mark Abraham	Fix minor trjconv bug	commit \| commitdiff \| tree
2016-11-24	Berk Hess	Change spline moduli calculation to double	commit \| commitdiff \| tree
2016-11-16	Carsten Kutzner	Increased the default reset step to 1500 in gmx tune_pme	commit \| commitdiff \| tree
2016-11-16	Mark Abraham	Remove unimplemented gmx trjcat -vel	commit \| commitdiff \| tree
2016-11-08	Dan Horák	Fix x86 conditional	commit \| commitdiff \| tree
2016-11-01	Aleksei Iupinov	Remove imatrix type and related unused/erroneous code	commit \| commitdiff \| tree
2016-10-31	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2016-10-31	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2016-10-28	Mark Abraham	Bumped version to prepare for next patch release	commit \| commitdiff \| tree
2016-10-28	Mark Abraham	Version 2016.1	commit \| commitdiff \| tree
2016-10-28	Berk Hess	DLB can now turn off, when slower	commit \| commitdiff \| tree
2016-10-28	Szilárd Páll	GPU-related additions to the install/user guide	commit \| commitdiff \| tree
2016-10-28	Berk Hess	Fix DLB timing with CUDA and OpenCL	commit \| commitdiff \| tree
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