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

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2018-08-28	Roland Schulz	Add hard limit for line length	commit \| commitdiff \| tree
2018-08-27	Mark Abraham	Fix use of nullptr	commit \| commitdiff \| tree
2018-08-27	Paul Bauer	Transfer information from old how-to section	commit \| commitdiff \| tree
2018-08-27	Roland Schulz	Enable more clang-tidy checks for new code	commit \| commitdiff \| tree
2018-08-24	Mark Abraham	Merge branch release-2018	commit \| commitdiff \| tree
2018-08-22	Paul Bauer	Fix trjconv when running without a structure file	commit \| commitdiff \| tree
2018-08-22	Mark Abraham	Fix handling of counter resets	commit \| commitdiff \| tree
2018-08-22	Joe Jordan	Fix pdb2gmx -chainsep	commit \| commitdiff \| tree
2018-08-21	Mark Abraham	Re-implemented mdrun -rerun tests	commit \| commitdiff \| tree
2018-08-21	Mark Abraham	Fix assertions for SD update	commit \| commitdiff \| tree
2018-08-21	Christian Blau	Add test for structural similarity measures rmsd and...	commit \| commitdiff \| tree
2018-08-20	Berk Hess	Refactor calc_verlet_buffer_size()	commit \| commitdiff \| tree
2018-08-20	Szilárd Páll	Disable single compilation unit with CUDA 9.0	commit \| commitdiff \| tree
2018-08-20	Berk Hess	Fix Verlet buffer estimate with BD	commit \| commitdiff \| tree
2018-08-20	Berk Hess	Fix assertion failure in CG	commit \| commitdiff \| tree
2018-08-20	Berk Hess	Really fix CG with multiple domains	commit \| commitdiff \| tree
2018-08-19	Roland Schulz	Fix simd-test	commit \| commitdiff \| tree
2018-08-18	Roland Schulz	readability-implicit-bool-conversion 2/2	commit \| commitdiff \| tree
2018-08-18	Roland Schulz	Enable clang tidy/warnings for tests	commit \| commitdiff \| tree
2018-08-14	Paul Bauer	Updated links in user guide	commit \| commitdiff \| tree
2018-08-14	Roland Schulz	Fix int/bool bugs	commit \| commitdiff \| tree
2018-08-14	Joe Jordan	Add chainsep and merge tests for pdb2gmx	commit \| commitdiff \| tree
2018-08-14	Mark Abraham	Fix enforced rotation energy output	commit \| commitdiff \| tree
2018-08-12	Roland Schulz	Add _real user defined literal	commit \| commitdiff \| tree
2018-08-08	Christian Blau	Local atom sets in rotational pulling.	commit \| commitdiff \| tree
2018-08-08	Roland Schulz	2/3 of old-style casting	commit \| commitdiff \| tree
2018-08-07	Paul Bauer	Remove duplicate entry for Doxygen from dev manual	commit \| commitdiff \| tree
2018-08-07	Christian Blau	Local atom sets in compEL / ion swapping code.	commit \| commitdiff \| tree
2018-08-07	Roland Schulz	Fix clang-tidy MPI warnings	commit \| commitdiff \| tree
2018-08-06	Roland Schulz	Change gmx_bool from int to bool	commit \| commitdiff \| tree
2018-08-06	Roland Schulz	Disable FPE for GCC 7.* with optimizations	commit \| commitdiff \| tree
2018-08-05	Mark Abraham	Reform enforced rotation working data	commit \| commitdiff \| tree
2018-08-04	Roland Schulz	clang-tidy: modernize make-unique/shared	commit \| commitdiff \| tree
2018-08-04	Christian Blau	Split essential dynamics reading routine	commit \| commitdiff \| tree
2018-08-01	M. Eric Irrgang	Remove extraneous gitignore line.	commit \| commitdiff \| tree
2018-07-31	Mark Abraham	Clean up inputrec structs	commit \| commitdiff \| tree
2018-07-30	Szilárd Páll	Move out OpenCL device utils from vectype ops	commit \| commitdiff \| tree
2018-07-30	Aleksei Iupinov	Remove hardcoded warp_size == 32 assumption from PME GPU	commit \| commitdiff \| tree
2018-07-30	Mark Abraham	Fix CG with multiple domains	commit \| commitdiff \| tree
2018-07-30	Roland Schulz	Disable FPEs at end of runner	commit \| commitdiff \| tree
2018-07-30	Paul Bauer	Fix bfactor output	commit \| commitdiff \| tree
2018-07-29	Szilárd Páll	Corrections to the user guide mdrun perf section	commit \| commitdiff \| tree
2018-07-18	Berk Hess	Apply local atom sets in pull code	commit \| commitdiff \| tree
2018-07-18	Mark Abraham	Fix pre-submit matrix	commit \| commitdiff \| tree
2018-07-17	Mark Abraham	Update clang static analyzer to version 6	commit \| commitdiff \| tree
2018-07-17	Joe Jordan	change gmx_bool to bool in gmxpreprocess	commit \| commitdiff \| tree
2018-07-17	Christian Blau	Local atom set handling during simulations.	commit \| commitdiff \| tree
2018-07-16	Roland Schulz	Fix Windows+Intel	commit \| commitdiff \| tree
2018-07-16	Christian Blau	Add LocalAtomSet for handling atom indices.	commit \| commitdiff \| tree
2018-07-16	Mark Abraham	Updated infrastructure for comparing mdrun output in...	commit \| commitdiff \| tree
2018-07-16	Roland Schulz	Warn for type mismatch for gmx printf like functions 1/3	commit \| commitdiff \| tree
2018-07-16	Mark Abraham	Replacement for pdb2gmx tests	commit \| commitdiff \| tree
2018-07-16	Roland Schulz	Enable debug FP exceptions without TPI, not with TPI	commit \| commitdiff \| tree
2018-07-12	Roland Schulz	Fix attribute usage	commit \| commitdiff \| tree
2018-07-11	Roland Schulz	clang: undefined-reinterpret-cast, comma, extra-semi	commit \| commitdiff \| tree
2018-07-11	Roland Schulz	Fix custom build types with cmake 3.11	commit \| commitdiff \| tree
2018-07-11	Roland Schulz	Clang warnings	commit \| commitdiff \| tree
2018-07-11	Mark Abraham	Split TopologyInformation into its own header	commit \| commitdiff \| tree
2018-07-08	Mark Abraham	Clarify the implementation of selection -ofpdb output	commit \| commitdiff \| tree
2018-07-06	Mark Abraham	Fix warnings in internal xdr code	commit \| commitdiff \| tree
2018-07-06	Mark Abraham	Merge "Merge release-2018 into master"	commit \| commitdiff \| tree
2018-07-06	Roland Schulz	Fix AVX_512_KNL	commit \| commitdiff \| tree
2018-07-04	Roland Schulz	Fix ManageLmfit	commit \| commitdiff \| tree
2018-07-03	Roland Schulz	Change ArrayRef::size_type to signed	commit \| commitdiff \| tree
2018-07-03	Berk Hess	Convert gmx_hash_t to C++	commit \| commitdiff \| tree
2018-07-03	Roland Schulz	clang-tidy: misc-misplaced-widening-cast	commit \| commitdiff \| tree
2018-07-03	Roland Schulz	clang-tidy: misc-misplaced-const	commit \| commitdiff \| tree
2018-07-03	Berk Hess	Localize variables in dd_redistribute_cg()	commit \| commitdiff \| tree
2018-07-02	Berk Hess	Convert DD DLB cell size handling to C++	commit \| commitdiff \| tree
2018-07-01	Roland Schulz	Enable clang-tidy NullDereference	commit \| commitdiff \| tree
2018-07-01	Roland Schulz	clang-tidy: readability-non-const-parameter (2/2)	commit \| commitdiff \| tree
2018-07-01	Berk Hess	Removed smalloc.h from many DD files	commit \| commitdiff \| tree
2018-06-30	Roland Schulz	clang-tidy: misc-string-compare+perf-value-param	commit \| commitdiff \| tree
2018-06-29	Roland Schulz	clang-tidy: readability-non-const-parameter (1/2)	commit \| commitdiff \| tree
2018-06-29	Berk Hess	Convert gmx_domdec_constraints_t to C++	commit \| commitdiff \| tree
2018-06-29	Berk Hess	Convert gmx_domdec_specat_comm_t to C++	commit \| commitdiff \| tree
2018-06-29	Berk Hess	Initialize DD DLB variable	commit \| commitdiff \| tree
2018-06-29	Berk Hess	New quote from a referee	commit \| commitdiff \| tree
2018-06-29	Roland Schulz	clang-tidy: misc-suspicious-missing-comma	commit \| commitdiff \| tree
2018-06-29	Roland Schulz	clang-tidy: add modernize nullptr & emplace	commit \| commitdiff \| tree
2018-06-29	Mark Abraham	New quote from ISC2018	commit \| commitdiff \| tree
2018-06-29	Roland Schulz	clang-tidy: readibility redundant	commit \| commitdiff \| tree
2018-06-29	Roland Schulz	clang-tidy: misleading-indentation+noexcept-move	commit \| commitdiff \| tree
2018-06-29	Roland Schulz	clang-tidy: Enable bugprone-integer-division	commit \| commitdiff \| tree
2018-06-29	Roland Schulz	Add clang-tidy to pre-submit	commit \| commitdiff \| tree
2018-06-28	Berk Hess	Clean up dd_move_cellx()	commit \| commitdiff \| tree
2018-06-28	Berk Hess	Convert gmx_domdec_sort_t to C++	commit \| commitdiff \| tree
2018-06-28	Berk Hess	Change BlockRanges to class RangePartitioning	commit \| commitdiff \| tree
2018-06-28	Roland Schulz	clang-tidy: 4 readability checks	commit \| commitdiff \| tree
2018-06-27	Berk Hess	Fix bug with 2D/3D triclinic DD	commit \| commitdiff \| tree
2018-06-27	Berk Hess	Add consistency check to DDAtomRanges	commit \| commitdiff \| tree
2018-06-27	Berk Hess	Partial conversion of gmx_domdec_comm_t to C++	commit \| commitdiff \| tree
2018-06-27	Berk Hess	Template and overload dd_sendrecv functions	commit \| commitdiff \| tree
2018-06-24	Roland Schulz	Allow GMX_OCL_DEBUG for any vendor	commit \| commitdiff \| tree
2018-06-14	Mark Abraham	Updated to prepare for 2018.3 release	commit \| commitdiff \| tree
2018-06-14	Mark Abraham	Version 2018.2	commit \| commitdiff \| tree
2018-06-14	Aleksei Iupinov	Ensure PME with OpenCL does not attempt to pin	commit \| commitdiff \| tree
2018-06-14	Berk Hess	Introduced DDAtomRanges class	commit \| commitdiff \| tree
2018-06-13	Mark Abraham	Call Constraints::setConstraints with other setup code	commit \| commitdiff \| tree
2018-06-13	Berk Hess	Remove LINCS prints to log file	commit \| commitdiff \| tree
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