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

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2019-03-07	Mark Abraham	Eliminate mdlib/mdrun.h	commit \| commitdiff \| tree
2019-03-07	Mark Abraham	Remove ineffective code for writing more TER fields...	commit \| commitdiff \| tree
2019-03-07	Mark Abraham	New tests for pdb2gmx and editconf	commit \| commitdiff \| tree
2019-03-06	Mark Abraham	Clean up use of loop indices	commit \| commitdiff \| tree
2019-03-06	Mark Abraham	Revert "Eliminate mdlib/mdrun.h"	commit \| commitdiff \| tree
2019-03-06	Mark Abraham	Eliminate mdlib/mdrun.h	commit \| commitdiff \| tree
2019-03-06	Mark Abraham	Minor modernization in gmx_dump	commit \| commitdiff \| tree
2019-03-05	Mark Abraham	Make pdb2gmx tests run in Jenkins	commit \| commitdiff \| tree
2019-03-02	Mark Abraham	Merge branch release-2019	commit \| commitdiff \| tree
2019-03-02	Mark Abraham	Remove defunct mdrun options	commit \| commitdiff \| tree
2019-02-27	Mark Abraham	Keep niche CMake variables as advanced	commit \| commitdiff \| tree
2019-02-27	Mark Abraham	Remove minor broken functionality in gmx bar	commit \| commitdiff \| tree
2019-02-26	Mark Abraham	Add new line to trjconv notice to users	commit \| commitdiff \| tree
2019-02-25	Mark Abraham	Move code out of sim_util.cpp	commit \| commitdiff \| tree
2019-02-25	Mark Abraham	De-duplicate gmx_tmpnam and gmx_fopen_temporary	commit \| commitdiff \| tree
2019-02-15	Mark Abraham	Improved diagnostics when PME cannot run on GPUs	commit \| commitdiff \| tree
2019-02-14	Mark Abraham	Fix use of selections referring to index groups	commit \| commitdiff \| tree
2019-02-14	Mark Abraham	Revert changes to implementation of insert-molecules...	commit \| commitdiff \| tree
2019-02-13	Mark Abraham	Improved electric-field docs	commit \| commitdiff \| tree
2019-02-13	Mark Abraham	Make EnergyOutput wrapper class	commit \| commitdiff \| tree
2019-02-13	Mark Abraham	Reduce coupling to paddedvector.h	commit \| commitdiff \| tree
2019-02-12	Mark Abraham	Quiet clang warning	commit \| commitdiff \| tree
2019-02-12	Mark Abraham	Remove gmx::Regex	commit \| commitdiff \| tree
2019-02-08	Mark Abraham	Fix Intel compiler warning	commit \| commitdiff \| tree
2019-02-08	Mark Abraham	Remove copy_energy from energy-writing steps	commit \| commitdiff \| tree
2019-02-08	Mark Abraham	Reform energy output tests	commit \| commitdiff \| tree
2019-02-04	Mark Abraham	Remove SIMD support from group scheme	commit \| commitdiff \| tree
2019-01-30	Mark Abraham	Merge remote branch release-2018 into release-2019	commit \| commitdiff \| tree
2019-01-30	Mark Abraham	Fix release notes issue links	commit \| commitdiff \| tree
2019-01-30	Mark Abraham	Fix release notes issue links	commit \| commitdiff \| tree
2019-01-28	Mark Abraham	Stop trying to check nvcc on Windows	commit \| commitdiff \| tree
2019-01-28	Mark Abraham	Bump CUDA requirement to 9.0	commit \| commitdiff \| tree
2019-01-25	Mark Abraham	Require clang 3.6	commit \| commitdiff \| tree
2019-01-25	Mark Abraham	Fix post-submit build	commit \| commitdiff \| tree
2019-01-25	Mark Abraham	Unify regex implementation	commit \| commitdiff \| tree
2019-01-25	Mark Abraham	Bump required gcc compiler to 5.1	commit \| commitdiff \| tree
2019-01-25	Mark Abraham	Use native cmake C++11 support	commit \| commitdiff \| tree
2019-01-22	Mark Abraham	Remove init_md and improve init_em	commit \| commitdiff \| tree
2019-01-21	Mark Abraham	Clean up initialize_lambdas	commit \| commitdiff \| tree
2019-01-21	Mark Abraham	Fix trjconv -ndec	commit \| commitdiff \| tree
2019-01-18	Mark Abraham	Disabled internal clFFT when using MSVC with OpenCL	commit \| commitdiff \| tree
2019-01-18	Mark Abraham	Improve nvcc error reporting	commit \| commitdiff \| tree
2019-01-18	Mark Abraham	Remove ctest section called simple	commit \| commitdiff \| tree
2019-01-16	Mark Abraham	Migrate test configuration off bs_mac	commit \| commitdiff \| tree
2019-01-16	Mark Abraham	Remove several unnecessary things	commit \| commitdiff \| tree
2019-01-15	Mark Abraham	Reverted standard ExternalProject for FFTW download	commit \| commitdiff \| tree
2019-01-14	Mark Abraham	Improve portability of PME on GPU code	commit \| commitdiff \| tree
2019-01-14	Mark Abraham	Remove ctest section called kernel	commit \| commitdiff \| tree
2019-01-14	Mark Abraham	Migrate TPI testing to Verlet scheme	commit \| commitdiff \| tree
2019-01-13	Mark Abraham	Improve use of gmxpreprocess headers	commit \| commitdiff \| tree
2019-01-11	Mark Abraham	Use enum class for grompp directives	commit \| commitdiff \| tree
2019-01-11	Mark Abraham	Fix typo in release notes	commit \| commitdiff \| tree
2019-01-11	Mark Abraham	Add helper functionality for safer enumerations	commit \| commitdiff \| tree
2019-01-10	Mark Abraham	Add more checks for division by zero	commit \| commitdiff \| tree
2019-01-10	Mark Abraham	Add more checks for division by zero	commit \| commitdiff \| tree
2019-01-09	Mark Abraham	Fix eioNames	commit \| commitdiff \| tree
2019-01-08	Mark Abraham	Fix trjconv -ndec	commit \| commitdiff \| tree
2019-01-08	Mark Abraham	Simplify reporting of GPU selection	commit \| commitdiff \| tree
2019-01-07	Mark Abraham	Finish removing group-scheme all-vs-all support	commit \| commitdiff \| tree
2019-01-02	Mark Abraham	Merge branch release-2019	commit \| commitdiff \| tree
2018-12-22	Mark Abraham	Fix unused parameter warning	commit \| commitdiff \| tree
2018-12-10	Mark Abraham	Make only mdrun report process ID	commit \| commitdiff \| tree
2018-12-09	Mark Abraham	Fix POWER8 and POWER9 build	commit \| commitdiff \| tree
2018-12-03	Mark Abraham	Move responsibility for PME reduction to its module	commit \| commitdiff \| tree
2018-11-29	Mark Abraham	Removed erronous manual variable handling	commit \| commitdiff \| tree
2018-11-28	Mark Abraham	Introduce GpuBonded	commit \| commitdiff \| tree
2018-11-26	Mark Abraham	Clean up initial log output	commit \| commitdiff \| tree
2018-11-22	Mark Abraham	Introduce PpForceWorkload	commit \| commitdiff \| tree
2018-11-22	Mark Abraham	Merge "Merge branch 'release-2019'"	commit \| commitdiff \| tree
2018-11-20	Mark Abraham	Partial revert of "Fix inefficient shell minimization"	commit \| commitdiff \| tree
2018-11-20	Mark Abraham	Merge "Merge release-2019 into master"	commit \| commitdiff \| tree
2018-11-19	Mark Abraham	Fix inefficient shell minimization	commit \| commitdiff \| tree
2018-11-15	Mark Abraham	Fix checkpoint restart of tpr with infinite step count	commit \| commitdiff \| tree
2018-11-15	Mark Abraham	Relax arbitrary tolerance on rerun test	commit \| commitdiff \| tree
2018-11-14	Mark Abraham	Fix OpenCL mdrun from installed path	commit \| commitdiff \| tree
2018-11-14	Mark Abraham	More warning suppressions for QMMM code	commit \| commitdiff \| tree
2018-11-09	Mark Abraham	Disabled FPE checking for non-release builds	commit \| commitdiff \| tree
2018-11-08	Mark Abraham	Pragma warning suppressins for icc+windows	commit \| commitdiff \| tree
2018-11-07	Mark Abraham	Suppress clang warnings about QMMM code	commit \| commitdiff \| tree
2018-11-05	Mark Abraham	Make PME OpenCL enabled only for AMD devices	commit \| commitdiff \| tree
2018-11-05	Mark Abraham	Remove source file with no content	commit \| commitdiff \| tree
2018-11-02	Mark Abraham	Quiet unused variable warnings	commit \| commitdiff \| tree
2018-11-01	Mark Abraham	Stop using hwloc on old ARM slave	commit \| commitdiff \| tree
2018-11-01	Mark Abraham	Disable ccache by default	commit \| commitdiff \| tree
2018-10-30	Mark Abraham	Improve ccache implementation	commit \| commitdiff \| tree
2018-10-30	Mark Abraham	Rename to GMX_OPENCL_NB_CLUSTER_SIZE	commit \| commitdiff \| tree
2018-10-30	Mark Abraham	Updates to docs for OpenCL support	commit \| commitdiff \| tree
2018-10-26	Mark Abraham	Merge "Merge branch release-2018 into release-2019...	commit \| commitdiff \| tree
2018-10-26	Mark Abraham	Merge branch release-2018 into release-2019	commit \| commitdiff \| tree
2018-10-25	Mark Abraham	Introduce ArrayRefWithPadding	commit \| commitdiff \| tree
2018-10-22	Mark Abraham	Fix clang CUDA warnings	commit \| commitdiff \| tree
2018-10-16	Mark Abraham	Eliminated t_ifunc from t_interaction_function	commit \| commitdiff \| tree
2018-10-16	Mark Abraham	Task assignment for bonded interactions on CUDA GPUs	commit \| commitdiff \| tree
2018-10-16	Mark Abraham	Fix compiler issues	commit \| commitdiff \| tree
2018-10-16	Mark Abraham	Removed support for NVIDIA CC 2.x devices (codename...	commit \| commitdiff \| tree
2018-10-15	Mark Abraham	Improve robustness of end-to-end testing	commit \| commitdiff \| tree
2018-10-15	Mark Abraham	Create ExclusionBlocks	commit \| commitdiff \| tree
2018-10-15	Mark Abraham	De-duplicating mdrun setup	commit \| commitdiff \| tree
2018-10-14	Mark Abraham	Fix compiler warnings	commit \| commitdiff \| tree
2018-10-13	Mark Abraham	Quiet compiler warnings	commit \| commitdiff \| tree
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