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

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

2018-11-20	Mark Abraham	Merge "Merge release-2019 into master"	commit \| commitdiff \| tree \| snapshot
2018-11-16	Roland Schulz	Merge release-2019 into master	commit \| commitdiff \| tree \| snapshot
2018-11-16	M. Eric Irrgang	Convert unhelpful assertion to better documentation.	commit \| commitdiff \| tree \| snapshot
2018-11-14	Mark Abraham	Fix OpenCL mdrun from installed path	commit \| commitdiff \| tree \| snapshot
2018-11-14	Alan Gray	Added Alan and Jon to List of Contributers	commit \| commitdiff \| tree \| snapshot
2018-11-14	Mark Abraham	More warning suppressions for QMMM code	commit \| commitdiff \| tree \| snapshot
2018-11-14	M. Eric Irrgang	Note GMXAPI CMake variables and build targets.	commit \| commitdiff \| tree \| snapshot
2018-11-13	Paul Bauer	Add cool quote	commit \| commitdiff \| tree \| snapshot
2018-11-12	Joe Jordan	Add coolquotes	commit \| commitdiff \| tree \| snapshot
2018-11-11	Kevin Boyd	Add testing utility for in-place modification of input...	commit \| commitdiff \| tree \| snapshot
2018-11-11	Viacheslav...	Fixing segfault in parallel MiMiC QM/MM runs	commit \| commitdiff \| tree \| snapshot
2018-11-08	Berk Hess	Fix bug with DD for dims without PBC	commit \| commitdiff \| tree \| snapshot
2018-11-08	Mark Abraham	Pragma warning suppressins for icc+windows	commit \| commitdiff \| tree \| snapshot
2018-11-07	Szilárd Páll	Re-enable the armclang post-submit build	commit \| commitdiff \| tree \| snapshot
2018-11-07	Mark Abraham	Suppress clang warnings about QMMM code	commit \| commitdiff \| tree \| snapshot
2018-11-07	Paul Bauer	Mark new cmake variables advanced	commit \| commitdiff \| tree \| snapshot
2018-11-07	Szilárd Páll	Eliminate macro that expands to variable in PME GPU	commit \| commitdiff \| tree \| snapshot
2018-11-07	Szilárd Páll	Ensure minimum exec width of the PME OpenCL kernels	commit \| commitdiff \| tree \| snapshot
2018-11-07	Paul Bauer	Add global directory for simulation test inputs	commit \| commitdiff \| tree \| snapshot
2018-11-06	Paul Bauer	Fix wrong branch for regressiontests	commit \| commitdiff \| tree \| snapshot
2018-11-06	Paul Bauer	Prepare for beta3	commit \| commitdiff \| tree \| snapshot
2018-11-06	Paul Bauer	GROMACS 2019 second beta release	commit \| commitdiff \| tree \| snapshot
2018-11-05	Mark Abraham	Make PME OpenCL enabled only for AMD devices	commit \| commitdiff \| tree \| snapshot
2018-11-05	Mark Abraham	Remove source file with no content	commit \| commitdiff \| tree \| snapshot
2018-11-05	Paul Bauer	Fix non ascii characters in manual references	commit \| commitdiff \| tree \| snapshot
2018-11-05	Paul Bauer	Make QM/MM code always compile	commit \| commitdiff \| tree \| snapshot
2018-11-05	Alexey Shvetsov	Disable -Wno-missing-prototypes	commit \| commitdiff \| tree \| snapshot
2018-11-05	Paul Bauer	Give more info when trying to build manual	commit \| commitdiff \| tree \| snapshot
2018-11-05	Paul Bauer	Fix formatting issue	commit \| commitdiff \| tree \| snapshot
2018-11-02	Mark Abraham	Quiet unused variable warnings	commit \| commitdiff \| tree \| snapshot
2018-11-01	Berk Hess	Fix broken update groups	commit \| commitdiff \| tree \| snapshot
2018-11-01	M. Eric Irrgang	Fully define symbols in restraintpotential.h	commit \| commitdiff \| tree \| snapshot
2018-11-01	M. Eric Irrgang	Add missing blame for restraint module files.	commit \| commitdiff \| tree \| snapshot
2018-11-01	Mark Abraham	Disable ccache by default	commit \| commitdiff \| tree \| snapshot
2018-10-31	Berk Hess	Limit auto assignment of bondeds to GPUs	commit \| commitdiff \| tree \| snapshot
2018-10-31	Berk Hess	Pin important buffers in CUDA bondeds	commit \| commitdiff \| tree \| snapshot
2018-10-31	Jonathan Vincent	Add CUDA bonded kernels	commit \| commitdiff \| tree \| snapshot
2018-10-31	Berk Hess	Fix FP exception in energy reduction	commit \| commitdiff \| tree \| snapshot
2018-10-31	Berk Hess	Correct VV integrator nstcalcenergy use	commit \| commitdiff \| tree \| snapshot
2018-10-31	Berk Hess	Correct grompp nstexpanded/nstcalcenergy check	commit \| commitdiff \| tree \| snapshot
2018-10-31	Paul Bauer	Add equation numbers in reference manual	commit \| commitdiff \| tree \| snapshot
2018-10-30	Mark Abraham	Improve ccache implementation	commit \| commitdiff \| tree \| snapshot
2018-10-30	Paul Bauer	Change Table of contents depth	commit \| commitdiff \| tree \| snapshot
2018-10-30	Mark Abraham	Rename to GMX_OPENCL_NB_CLUSTER_SIZE	commit \| commitdiff \| tree \| snapshot
2018-10-30	Mark Abraham	Updates to docs for OpenCL support	commit \| commitdiff \| tree \| snapshot
2018-10-29	Kevin Boyd	Add constructor for t_corr in gmx_msd	commit \| commitdiff \| tree \| snapshot
2018-10-26	Mark Abraham	Merge "Merge branch release-2018 into release-2019...	commit \| commitdiff \| tree \| snapshot
2018-10-26	Mark Abraham	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree \| snapshot
2018-10-26	Paul Bauer	Fix link formatting in developer manual	commit \| commitdiff \| tree \| snapshot
2018-10-26	Berk Hess	Add missing mass term to deltaH	commit \| commitdiff \| tree \| snapshot
2018-10-26	Paul Bauer	Update user documentation overview	commit \| commitdiff \| tree \| snapshot
2018-10-25	Mark Abraham	Introduce ArrayRefWithPadding	commit \| commitdiff \| tree \| snapshot
2018-10-25	Paul Bauer	Change doc build without image conversion	commit \| commitdiff \| tree \| snapshot
2018-10-24	Paul Bauer	Update QM gaussian interface	commit \| commitdiff \| tree \| snapshot
2018-10-24	Paul Bauer	Fix MPI w/o MPI_IN_PLACE	commit \| commitdiff \| tree \| snapshot
2018-10-23	Berk Hess	Add missing constraint term to deltaH	commit \| commitdiff \| tree \| snapshot
2018-10-23	Joe Jordan	Properly attribute work and use correct dates for binar...	commit \| commitdiff \| tree \| snapshot
2018-10-22	Paul Bauer	Prepare master for 2020	commit \| commitdiff \| tree \| snapshot
2018-10-22	Paul Bauer	Prepare for beta 2	commit \| commitdiff \| tree \| snapshot
2018-10-22	Mark Abraham	Fix clang CUDA warnings	commit \| commitdiff \| tree \| snapshot
2018-10-22	Paul Bauer	GROMACS 2019 first beta release	commit \| commitdiff \| tree \| snapshot
2018-10-21	Berk Hess	Fix mdrun start/end time print	commit \| commitdiff \| tree \| snapshot
2018-10-19	M. Eric Irrgang	Documentation bug in gmxapi/context.h	commit \| commitdiff \| tree \| snapshot
2018-10-18	Paul Bauer	Remove unused files in docs/manual	commit \| commitdiff \| tree \| snapshot
2018-10-18	Paul Bauer	Fix segmentation fault in gmx helix	commit \| commitdiff \| tree \| snapshot
2018-10-18	Berk Hess	Add env.var. to disable update groups	commit \| commitdiff \| tree \| snapshot
2018-10-16	Mark Abraham	Eliminated t_ifunc from t_interaction_function	commit \| commitdiff \| tree \| snapshot
2018-10-16	Magnus Lundborg	Move gmx_ffparams_t to forcefieldparameters	commit \| commitdiff \| tree \| snapshot
2018-10-16	Mark Abraham	Task assignment for bonded interactions on CUDA GPUs	commit \| commitdiff \| tree \| snapshot
2018-10-16	Mark Abraham	Fix compiler issues	commit \| commitdiff \| tree \| snapshot
2018-10-16	Mark Abraham	Removed support for NVIDIA CC 2.x devices (codename...	commit \| commitdiff \| tree \| snapshot
2018-10-15	Mark Abraham	Improve robustness of end-to-end testing	commit \| commitdiff \| tree \| snapshot
2018-10-15	M. Eric Irrgang	Release notes for restraint module and gmxapi.	commit \| commitdiff \| tree \| snapshot
2018-10-15	Mark Abraham	Create ExclusionBlocks	commit \| commitdiff \| tree \| snapshot
2018-10-15	Mark Abraham	De-duplicating mdrun setup	commit \| commitdiff \| tree \| snapshot
2018-10-15	Magnus Lundborg	Enable output of average pull force and positions.	commit \| commitdiff \| tree \| snapshot
2018-10-15	M. Eric Irrgang	Ignore pyenv config file.	commit \| commitdiff \| tree \| snapshot
2018-10-15	M. Eric Irrgang	Preparation for de-duplicating mdrun setup	commit \| commitdiff \| tree \| snapshot
2018-10-14	M. Eric Irrgang	Add some "to do"s for MDModules and Impl.	commit \| commitdiff \| tree \| snapshot
2018-10-14	Mark Abraham	Fix compiler warnings	commit \| commitdiff \| tree \| snapshot
2018-10-14	M. Eric Irrgang	Resolve some linter warnings.	commit \| commitdiff \| tree \| snapshot
2018-10-14	Szilárd Páll	Fix more clang-6 warnings in CUDA code	commit \| commitdiff \| tree \| snapshot
2018-10-14	M. Eric Irrgang	Test signaling facility through session resources.	commit \| commitdiff \| tree \| snapshot
2018-10-14	Szilárd Páll	Modernize OpenCL memory allocation flags	commit \| commitdiff \| tree \| snapshot
2018-10-14	M. Eric Irrgang	Clean up gmxapi testsupport output.	commit \| commitdiff \| tree \| snapshot
2018-10-14	M. Eric Irrgang	gmxapi::UsageError	commit \| commitdiff \| tree \| snapshot
2018-10-14	M. Eric Irrgang	Allow API access to simulation signals.	commit \| commitdiff \| tree \| snapshot
2018-10-13	Aleksei Iupinov	Add and enable PME OpenCL	commit \| commitdiff \| tree \| snapshot
2018-10-13	Mark Abraham	Quiet compiler warnings	commit \| commitdiff \| tree \| snapshot
2018-10-13	Viacheslav...	Updated name of intemolecular exclusions function	commit \| commitdiff \| tree \| snapshot
2018-10-13	Mark Abraham	Deprecate various functionality in GROMACS 2019	commit \| commitdiff \| tree \| snapshot
2018-10-12	M. Eric Irrgang	Add gmxapi session resources.	commit \| commitdiff \| tree \| snapshot
2018-10-12	M. Eric Irrgang	Enable restraints facilities.	commit \| commitdiff \| tree \| snapshot
2018-10-12	M. Eric Irrgang	Add API for adding MDModules / Restraints.	commit \| commitdiff \| tree \| snapshot
2018-10-12	Berk Hess	Implement assigning bondeds to the GPU	commit \| commitdiff \| tree \| snapshot
2018-10-12	M. Eric Irrgang	Initialize force vector in PotentialPointData constructor.	commit \| commitdiff \| tree \| snapshot
2018-10-12	M. Eric Irrgang	Add restraints framework.	commit \| commitdiff \| tree \| snapshot
2018-10-12	Viacheslav...	Implemented QM/MM workflow inside core GROMACS	commit \| commitdiff \| tree \| snapshot
2018-10-12	Mark Abraham	Exclude gmxapi source files from include sorting	commit \| commitdiff \| tree \| snapshot
2018-10-11	David van der...	Reinstated quasiharmonic entropy calculation in gmx...	commit \| commitdiff \| tree \| snapshot
next

Local GROMACS mirror with custom stuff

RSS Atom