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

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2021-08-18	Mark Abraham	Ensure restart with update groups always works	commit \| commitdiff \| tree
2021-08-12	Mark Abraham	Fix bugs in gmx chi and gmx angle	commit \| commitdiff \| tree
2021-06-16	Mark Abraham	Fix reporting of quadrupole moment	commit \| commitdiff \| tree
2021-05-05	Mark Abraham	Restore pull output to rerun	commit \| commitdiff \| tree
2021-05-03	Mark Abraham	Respect umask when creating temporary file	commit \| commitdiff \| tree
2021-05-03	Mark Abraham	Fully define IndexGroupsAndNames	commit \| commitdiff \| tree
2021-04-30	Mark Abraham	Prohibit SETTLE interactions on atoms with perturbed...	commit \| commitdiff \| tree
2021-04-30	Mark Abraham	Temporarily lift requirement to detect GPUs in CI	commit \| commitdiff \| tree
2021-03-15	Mark Abraham	Fix OpenCL build on OSX	commit \| commitdiff \| tree
2021-03-01	Mark Abraham	Various fixes for gmx xpm2ps	commit \| commitdiff \| tree
2021-02-26	Mark Abraham	Fix MiMiC with vsites	commit \| commitdiff \| tree
2021-02-05	Mark Abraham	Ensure GoogleTest builds properly	commit \| commitdiff \| tree
2021-02-04	Mark Abraham	Define M_PI when it is not defined	commit \| commitdiff \| tree
2021-02-04	Mark Abraham	Fix refactoring issue	commit \| commitdiff \| tree
2021-02-03	Mark Abraham	Fix handling of tip4p in pdb2gmx	commit \| commitdiff \| tree
2021-02-02	Mark Abraham	Fix compiler-version checks for C++17 requirements	commit \| commitdiff \| tree
2021-02-01	Mark Abraham	Add necessary include	commit \| commitdiff \| tree
2021-01-27	Mark Abraham	Test python 3.9.1	commit \| commitdiff \| tree
2021-01-26	Mark Abraham	Fix default for xpm2gmx tick-mark spacings	commit \| commitdiff \| tree
2021-01-26	Mark Abraham	Stop installing NB-LIB argon-forces-integration binary	commit \| commitdiff \| tree
2021-01-25	Mark Abraham	Use ctest better to run NB-LIB sample code as a test	commit \| commitdiff \| tree
2021-01-25	Mark Abraham	Log progress from gmx msd better	commit \| commitdiff \| tree
2021-01-21	Mark Abraham	Ensure residue name used by pdb2gmx matches rtp name	commit \| commitdiff \| tree
2021-01-21	Mark Abraham	Suggest a workaround for pulling with -deffnm	commit \| commitdiff \| tree
2021-01-20	Mark Abraham	Describe the configured precision correctly for mdrun	commit \| commitdiff \| tree
2021-01-20	Mark Abraham	Fix PaddedVector move constructor	commit \| commitdiff \| tree
2021-01-20	Mark Abraham	Report hwloc 1.x deprecation only when found	commit \| commitdiff \| tree
2021-01-19	Mark Abraham	Deprecate mdrun -deffnm	commit \| commitdiff \| tree
2020-12-23	Mark Abraham	Deprecate .pdo file reading	commit \| commitdiff \| tree
2020-12-17	Mark Abraham	Update CI image to OneAPI 2021.1.1, add ICC tests.	commit \| commitdiff \| tree
2020-12-15	Mark Abraham	Update deprecation statuses	commit \| commitdiff \| tree
2020-12-09	Mark Abraham	Fix compilation and tests with icc 19.1.2	commit \| commitdiff \| tree
2020-11-24	Mark Abraham	Stop GoogleTest requiring ancient CMake minimum versions	commit \| commitdiff \| tree
2020-11-10	Mark Abraham	Add move operations to GpuHaloExchange	commit \| commitdiff \| tree
2020-11-05	Mark Abraham	Stop showing wrong README on GitHub front page	commit \| commitdiff \| tree
2020-11-05	Mark Abraham	Improve issues with CUDA interacting with std flags	commit \| commitdiff \| tree
2020-11-04	Mark Abraham	Fix use of config.h in halo exchange tests	commit \| commitdiff \| tree
2020-11-04	Mark Abraham	Remove logging from hardware detection	commit \| commitdiff \| tree
2020-10-22	Mark Abraham	Compile host code with c++14 where needed	commit \| commitdiff \| tree
2020-10-22	Mark Abraham	Suppress warnings from clang with nvcc more widely	commit \| commitdiff \| tree
2020-10-21	Mark Abraham	Fix C++ language flag propagation to nvcc	commit \| commitdiff \| tree
2020-10-16	Mark Abraham	Fixes for clang 11	commit \| commitdiff \| tree
2020-10-14	Mark Abraham	Fix compilation with MSVC	commit \| commitdiff \| tree
2020-10-14	Mark Abraham	Fix string interpolation error	commit \| commitdiff \| tree
2020-10-14	Mark Abraham	Fix bonded tests	commit \| commitdiff \| tree
2020-10-07	Mark Abraham	Update to oneAPI beta09	commit \| commitdiff \| tree
2020-10-02	Mark Abraham	Cleaned up CUDA compilation	commit \| commitdiff \| tree
2020-10-02	Mark Abraham	Update GoogleTest to v1.8.1	commit \| commitdiff \| tree
2020-09-30	Mark Abraham	Fix warnings issued by clang with nvcc	commit \| commitdiff \| tree
2020-09-28	Mark Abraham	Fix check for BitScanReverse64	commit \| commitdiff \| tree
2020-09-25	Mark Abraham	Ensure the modular simulator runs only when it should	commit \| commitdiff \| tree
2020-09-23	Mark Abraham	Report name of missing OpenCL kernels	commit \| commitdiff \| tree
2020-09-23	Mark Abraham	Permit comparison of only first frames	commit \| commitdiff \| tree
2020-09-22	Mark Abraham	Split mdrun-test	commit \| commitdiff \| tree
2020-09-21	Mark Abraham	Wrong logic was used	commit \| commitdiff \| tree
2020-09-16	Mark Abraham	Activate AMD OpenCL build in release matrix	commit \| commitdiff \| tree
2020-09-12	Mark Abraham	Fix GPU device info broadcast with MPI	commit \| commitdiff \| tree
2020-08-26	Mark Abraham	Permit build with CUDA 11.0	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Allow simpler use of scripted container builds	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Restore use of CUDA 11.0 in CI	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Build fewer unnecessary SIMD kernels in CI	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Support oneAPI in gitlab CI	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Stopped using images in biophysics Docker repository	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Avoid builds with RelWithDebInfo	commit \| commitdiff \| tree
2020-08-17	Mark Abraham	Fix isHostMemoryPinned for changes in CUDA 11.0	commit \| commitdiff \| tree
2020-08-12	Mark Abraham	Revert to CUDA 10 image for CI	commit \| commitdiff \| tree
2020-08-08	Mark Abraham	Fix typo in docs	commit \| commitdiff \| tree
2020-08-07	Mark Abraham	Fix release build warning	commit \| commitdiff \| tree
2020-08-06	Mark Abraham	Keep all the infra and the user happy	commit \| commitdiff \| tree
2020-08-06	Mark Abraham	Update minimum tested CUDA to 11.0	commit \| commitdiff \| tree
2020-07-31	Mark Abraham	Move code to prepare for multisim class	commit \| commitdiff \| tree
2020-07-31	Mark Abraham	Release configs were using a wrong build type	commit \| commitdiff \| tree
2020-07-31	Mark Abraham	Release configs were using a wrong build type	commit \| commitdiff \| tree
2020-07-27	Mark Abraham	Fix warnings in release builds	commit \| commitdiff \| tree
2020-07-27	Mark Abraham	Fix RDTSCP handling	commit \| commitdiff \| tree
2020-07-15	Mark Abraham	Divide default communicator from DD communicators	commit \| commitdiff \| tree
2020-07-08	Mark Abraham	Fix issues found with clang-tidy	commit \| commitdiff \| tree
2020-06-25	Mark Abraham	Restored the comment	commit \| commitdiff \| tree
2020-06-23	Mark Abraham	WIP: Finish removing compile_cpp_as_cuda	commit \| commitdiff \| tree
2020-06-01	Mark Abraham	Fix atomics configure test	commit \| commitdiff \| tree
2020-05-29	Mark Abraham	Make Cygwin build work	commit \| commitdiff \| tree
2020-04-30	Mark Abraham	Remove bundled FindCUDA.cmake	commit \| commitdiff \| tree
2020-04-30	Mark Abraham	Fix compiler flag reporting	commit \| commitdiff \| tree
2020-04-29	Mark Abraham	Update cmake version for docs container	commit \| commitdiff \| tree
2020-04-29	Mark Abraham	Baseline commit	commit \| commitdiff \| tree
2020-04-29	Mark Abraham	Fixed several clang-tidy issues	commit \| commitdiff \| tree
2020-04-27	Mark Abraham	Improved some logic in do_force	commit \| commitdiff \| tree
2020-04-25	Mark Abraham	Move configuration of global headers	commit \| commitdiff \| tree
2020-04-23	Mark Abraham	Mark HWLOC cmake cache variable as advanced	commit \| commitdiff \| tree
2020-04-23	Mark Abraham	Fix warnings for no-mpi build	commit \| commitdiff \| tree
2020-04-21	Mark Abraham	Fix warnings with clang 9	commit \| commitdiff \| tree
2020-04-16	Mark Abraham	Introduce GMX_USE_SIMD_KERNELS cmake option	commit \| commitdiff \| tree
2020-04-14	Mark Abraham	Fix more clang warnings	commit \| commitdiff \| tree
2020-04-13	Mark Abraham	Fix warnings for no-mpi build	commit \| commitdiff \| tree
2020-04-12	Mark Abraham	Removed unused variable in force table generation	commit \| commitdiff \| tree
2020-04-12	Mark Abraham	Finish removing ENCAD shifts and table generation	commit \| commitdiff \| tree
2020-04-12	Mark Abraham	Update to clang-tidy-9	commit \| commitdiff \| tree
2020-04-08	Mark Abraham	Fixes for clang-tidy-9	commit \| commitdiff \| tree
2020-04-07	Mark Abraham	Replace EnumOption with EnumerationArrayOption	commit \| commitdiff \| tree
2020-04-01	Mark Abraham	Fix minor bug with tools time-unit conversions	commit \| commitdiff \| tree
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