Public Git Hosting - gromacs.git/search

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	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
2016-10-27	Szilárd Páll	Make -cl-fast-relaxed-math default	commit \| commitdiff \| tree
2016-10-21	Mark Abraham	Update install guide	commit \| commitdiff \| tree
2016-10-21	Mark Abraham	Update cppcheck support to 1.76.1	commit \| commitdiff \| tree
2016-10-19	Teemu Murtola	Serialization support for KeyValueTree	commit \| commitdiff \| tree
2016-10-19	Mark Abraham	Upgrade coverage matrix.	commit \| commitdiff \| tree
2016-10-18	Mark Abraham	Fix SIMD suggestion for VMX	commit \| commitdiff \| tree
2016-10-17	Erik Lindahl	New classes for spline interpolation tables	commit \| commitdiff \| tree
2016-10-16	Teemu Murtola	Improved error handling for KeyValueTree operations	commit \| commitdiff \| tree
2016-10-14	Teemu Murtola	Use gmx_mtop_t in selections, part 2	commit \| commitdiff \| tree
2016-10-13	Teemu Murtola	Add back-mapping to KeyValueTreeTransform	commit \| commitdiff \| tree
2016-10-13	Teemu Murtola	Update bundled TNG	commit \| commitdiff \| tree
2016-10-12	Teemu Murtola	Use gmx_mtop_t in selections, part 1	commit \| commitdiff \| tree
2016-10-12	Teemu Murtola	Wrap sel. method evaluation parameters to struct	commit \| commitdiff \| tree
2016-10-12	Berk Hess	Fixed print bug in gmx wham	commit \| commitdiff \| tree
2016-10-11	James W. Barnett	fix typo	commit \| commitdiff \| tree
2016-10-11	Teemu Murtola	Check atom mass availability in selections	commit \| commitdiff \| tree
2016-10-10	Mark Abraham	Merge "Merge branch release-2016"	commit \| commitdiff \| tree
2016-10-09	Mark Abraham	Merge branch release-2016	commit \| commitdiff \| tree
2016-10-07	Mark Abraham	Add script for Jenkins regressiontest update job	commit \| commitdiff \| tree
2016-10-06	Carlo Camilloni	Always update mdatoms when doing energy minimisation	commit \| commitdiff \| tree
2016-10-03	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2016-10-03	Mark Abraham	Replace use of deprecated readdir_r	commit \| commitdiff \| tree
2016-09-28	Jochen Hub	Fixed bug in gmx wham for reading pullx files.	commit \| commitdiff \| tree
2016-09-27	David van der Spoel	Fixed script xplor2gmx.pl to work with GMXDATA	commit \| commitdiff \| tree
2016-09-08	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2016-09-08	Mark Abraham	Bumped patch number to prepare for future 5.1.5 release	commit \| commitdiff \| tree
2016-09-07	Mark Abraham	Version 5.1.4	commit \| commitdiff \| tree
2016-09-07	Mark Abraham	Removed HIS1 from oplsaa and charmm definitions	commit \| commitdiff \| tree
2016-09-07	Erik Lindahl	Bump oldest cmake, compiler and CUDA versions required	commit \| commitdiff \| tree
2016-09-06	Mark Abraham	Work around glibc 2.23 with CUDA	commit \| commitdiff \| tree
2016-09-06	Berk Hess	Consolidate MD algorithm atom setup	commit \| commitdiff \| tree
2016-09-02	Berk Hess	Fix Parrinello-Rahman with nstpcouple>1	commit \| commitdiff \| tree
2016-08-30	Teemu Murtola	Basic support for transforming KeyValueTrees	commit \| commitdiff \| tree
2016-08-30	Berk Hess	Make virial reproducible	commit \| commitdiff \| tree
2016-08-18	Teemu Murtola	Check for unused refdata values	commit \| commitdiff \| tree
2016-08-18	Teemu Murtola	Generic structured key-value tree for options	commit \| commitdiff \| tree
2016-08-18	Teemu Murtola	Support for non-string option value assignment	commit \| commitdiff \| tree
2016-08-17	Teemu Murtola	Basic support for array-of-structs in options	commit \| commitdiff \| tree
2016-08-17	Teemu Murtola	Generalize and simplify option value storage	commit \| commitdiff \| tree
next

The ultimate molecular dynamics simulation package

RSS Atom