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2021-02-18	Szilárd Páll	Clean up box vector constants in do_force	commit \| commitdiff \| tree
2021-02-17	Artem Zhmurov	Use GpuEventSynchronizer in NBNXM	commit \| commitdiff \| tree
2021-02-13	Paul Bauer	Fix release docs build	commit \| commitdiff \| tree
2021-02-11	Joe Jordan	Use unique_ptr for tables	commit \| commitdiff \| tree
2021-02-09	Andrey Alekseenko	SYCL compilation and code compatibility changes	commit \| commitdiff \| tree
2021-02-09	Artem Zhmurov	Fix clang-format	commit \| commitdiff \| tree
2021-02-09	Paul Bauer	Fix range check bug in gmx covar	commit \| commitdiff \| tree
2021-02-08	Paul Bauer	Fix clang-tidy-11 for trajectoryanalysis	commit \| commitdiff \| tree
2021-02-07	Szilárd Páll	Fix clang-tidy 11 warning in nbnxm ocl kernels	commit \| commitdiff \| tree
2021-02-06	Mark Abraham	Add style code for function static variables	commit \| commitdiff \| tree
2021-02-05	Paul Bauer	Clang-tidy-11 fixes for utility	commit \| commitdiff \| tree
2021-02-05	Paul Bauer	Fix clang-tidy-11 for domdec and utility	commit \| commitdiff \| tree
2021-02-01	Paul Bauer	Fix clang-tidy	commit \| commitdiff \| tree
2021-01-29	Hubert Santuz	Allow MdModules to access the topology during simulation...	commit \| commitdiff \| tree
2021-01-29	Christian Blau	Update release note on QM/MM deprication	commit \| commitdiff \| tree
2021-01-27	Christian Blau	Clarify lambda vector usage with figure in manual	commit \| commitdiff \| tree
2021-01-26	Mark Abraham	Stop installing NB-LIB argon-forces-integration binary	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	Paul Bauer	NBLIB: Remove preprocessor macros	commit \| commitdiff \| tree
2021-01-20	Paul Bauer	Fix TPR handling for older versions.	commit \| commitdiff \| tree
2021-01-20	Paul Bauer	Fix checksumming code	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	Berk Hess	Change default MTS force group selection	commit \| commitdiff \| tree
2020-11-25	Paul Bauer	Fix error with links in docs	commit \| commitdiff \| tree
2020-11-23	Paul Bauer	Fixes for Intel and container build fixes	commit \| commitdiff \| tree
2020-11-23	Magnus Lundborg	Properly check if there are perturbed constraints or...	commit \| commitdiff \| tree
2020-11-23	Artem Zhmurov	Separate VV first and second steps from MD loop	commit \| commitdiff \| tree
2020-11-23	Artem Zhmurov	Remove coolquote that sounds offensive without context	commit \| commitdiff \| tree
2020-11-10	Szilárd Páll	GPU codepath cycle counting fixes	commit \| commitdiff \| tree
2020-11-09	Szilárd Páll	Fix cycle counting in StatePropagatorDataGpu	commit \| commitdiff \| tree
2020-11-06	Artem Zhmurov	Fix doxygen comments formattig in update.h	commit \| commitdiff \| tree
2020-10-30	Szilárd Páll	Clang format	commit \| commitdiff \| tree
2020-10-30	Szilárd Páll	Add fvec doxygen	commit \| commitdiff \| tree
2020-10-30	Szilárd Páll	Fix AMD OpenCL float3 array optimization bug	commit \| commitdiff \| tree
2020-10-28	Andrey Alekseenko	Add dispatchTemplatedFunction	commit \| commitdiff \| tree
2020-10-27	M. Eric Irrgang	Update image names in job definitions.	commit \| commitdiff \| tree
2020-10-27	Artem Zhmurov	Remove unused velocity scaling enum value	commit \| commitdiff \| tree
2020-10-27	Paul Bauer	Don't deploy nightly webpages	commit \| commitdiff \| tree
2020-10-22	Paul Bauer	Fix propagating flags for Intel + Windows	commit \| commitdiff \| tree
2020-10-22	Paul Bauer	Fix static linking with MSVC	commit \| commitdiff \| tree
2020-10-22	Paul Bauer	Prepare master for 2022	commit \| commitdiff \| tree
2020-10-22	Andrey Alekseenko	TrajectoryElement: initialize and rename logWritingStep_	commit \| commitdiff \| tree
2020-10-22	Mark Abraham	Suppress warnings from clang with nvcc more widely	commit \| commitdiff \| tree
2020-10-16	Alan Gray	Fix for force copy dependency of GPU force reduction	commit \| commitdiff \| tree
2020-10-09	Andrey Alekseenko	Try to fix the nightly clang-tidy-9 build	commit \| commitdiff \| tree
2020-10-08	Andrey Alekseenko	Add explicit types to NB kernel type enums	commit \| commitdiff \| tree
2020-10-08	Andrey Alekseenko	Set CUDA hardware constants for CC 7.5, 8.6	commit \| commitdiff \| tree
2020-10-08	Andrey Alekseenko	Device management: Add SYCL GpuEventSynchronizer	commit \| commitdiff \| tree
2020-10-07	Andrey Alekseenko	Add GpuRegionTimer for SYCL	commit \| commitdiff \| tree
2020-10-07	Erik Lindahl	New release, new quotes!	commit \| commitdiff \| tree
2020-10-06	Artem Zhmurov	Remove unused canComputeOnGpu(...) function from device...	commit \| commitdiff \| tree
2020-10-06	Artem Zhmurov	Simplify GPU usage decision function signatures	commit \| commitdiff \| tree
2020-10-06	Andrey Alekseenko	Fix logic in init_ewald_coulomb_force_table	commit \| commitdiff \| tree
2020-10-06	Artem Zhmurov	Use new GPU infrastructure in MDLib tests	commit \| commitdiff \| tree
2020-10-05	Paul Bauer	Always set DeviceVendor	commit \| commitdiff \| tree
2020-10-05	Paul Bauer	Fix debug message location	commit \| commitdiff \| tree
2020-10-05	Paul Bauer	Add muparser and CMake handling	commit \| commitdiff \| tree
2020-10-05	Paul Bauer	Fix doxygen warnings	commit \| commitdiff \| tree
2020-10-01	Szilárd Páll	Update mdrun-performance.rst	commit \| commitdiff \| tree
2020-10-01	Gilles Gouaillardet	docs: add ARM+SVE support to the release notes and...	commit \| commitdiff \| tree
2020-10-01	Gilles Gouaillardet	hardware: detect ARM SVE architecture at runtime	commit \| commitdiff \| tree
2020-10-01	Gilles Gouaillardet	cmake: use simd support for ARM+SVE	commit \| commitdiff \| tree
2020-10-01	Gilles Gouaillardet	simd: add support for aarch64+sve (ARM_SVE)	commit \| commitdiff \| tree
2020-10-01	Gilles Gouaillardet	simd: revamp the (templated) decr3Hsimd() subroutine	commit \| commitdiff \| tree
2020-10-01	Artem Zhmurov	Add missing include into the tests comparison helper	commit \| commitdiff \| tree
2020-10-01	Andrey Alekseenko	Device management: Add SYCL DeviceBuffer	commit \| commitdiff \| tree
2020-09-30	Berk Hess	Move computeSlowForces into stepWork	commit \| commitdiff \| tree
2020-09-30	Mark Abraham	Fix warnings issued by clang with nvcc	commit \| commitdiff \| tree
2020-09-30	Pascal Merz	Fix #3655	commit \| commitdiff \| tree
2020-09-29	Paul Bauer	Fix doxygen warnings	commit \| commitdiff \| tree
2020-09-29	ejjordan	Fail gracefully when nblib cannot be built	commit \| commitdiff \| tree
2020-09-29	Joe Jordan	Add nblib backend: Part 2 of 2	commit \| commitdiff \| tree
2020-09-29	Paul Bauer	Add post submit rules to CI	commit \| commitdiff \| tree
2020-09-28	Alan Gray	Remove single-dimension limitation from GPU halo exchange	commit \| commitdiff \| tree
2020-09-28	Andrey Alekseenko	Fix error in ensureReferenceCount	commit \| commitdiff \| tree
2020-09-27	Pascal Merz	Compare trajectories to reference data	commit \| commitdiff \| tree
2020-09-23	Mark Abraham	Report name of missing OpenCL kernels	commit \| commitdiff \| tree
2020-09-21	Mark Abraham	Wrong logic was used	commit \| commitdiff \| tree
2020-09-21	Paul Bauer	Add OpenSSH to docs build images	commit \| commitdiff \| tree
2020-09-16	Berk Hess	Remove unnecessary condition in DD force buffer resizing	commit \| commitdiff \| tree
2020-09-15	Paul Bauer	Fix missing installed files for OpenCL PME	commit \| commitdiff \| tree
2020-09-15	Erik Lindahl	Fix minor warnings noticed by Intel compilers	commit \| commitdiff \| tree
2020-09-15	Artem Zhmurov	Fix VSite out of range error message	commit \| commitdiff \| tree
2020-09-11	Paul Bauer	Remove leftover data after refactoring	commit \| commitdiff \| tree
2020-09-11	Paul Bauer	Fix doxygen for unused parameters.	commit \| commitdiff \| tree
2020-09-10	Gilles Gouaillardet	fix check_assign_interactions_atom()	commit \| commitdiff \| tree
2020-09-10	Paul Bauer	Minor fix to the printout for regtest builds	commit \| commitdiff \| tree
2020-09-10	Artem Zhmurov	Use device information object instead of id when performing...	commit \| commitdiff \| tree
2020-09-10	Joe Jordan	Replace GMX_ASSERT with assert in vectypes.h	commit \| commitdiff \| tree
2020-09-09	Artem Zhmurov	Restore GMX_FORCE_UPDATE_DEFAULT_GPU environment varible...	commit \| commitdiff \| tree
2020-09-08	Andrey Alekseenko	Fix clang-tidy warning	commit \| commitdiff \| tree
2020-09-08	Andrey Alekseenko	Fix "GPU detection deactivated" message when it in...	commit \| commitdiff \| tree
2020-09-07	Christian Blau	Fix clang-format failure in coordinatetransformation.h	commit \| commitdiff \| tree
2020-09-07	Artem Zhmurov	Fix clang-format	commit \| commitdiff \| tree
2020-09-02	Berk Hess	Move listed and wall forces out of do_force_lowlevel()	commit \| commitdiff \| tree
2020-08-27	M. Eric Irrgang	Use a heap object for inputrec in gmx::Mdrunner::mdrunner().	commit \| commitdiff \| tree
2020-08-20	Alan Gray	Fix bug in Lincs GPU setup	commit \| commitdiff \| tree
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