Use ListOfLists for atom to constraint mapping
[alexxy/gromacs.git] / src / gromacs / mdlib / lincs.cpp
2019-12-22 Berk HessUse ListOfLists for atom to constraint mapping
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020
2019-11-07 Paul BauerApply clang-format to source tree
2019-10-29 Paul BauerMerge branch 'release-2019' into master
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019'
2019-09-24 Paul BauerMerge branch release-2019 into master
2019-09-05 Pascal MerzMake do_constrain_first() independent of t_state
2019-08-22 Mark AbrahamMerge branch release-2019
2019-08-21 Mark AbrahamImprove organization of LINCS reporting
2019-08-20 Mark AbrahamFix issues for clang-analyzer-8
2019-08-01 Paul BauerMerge release-2019 into master
2019-06-14 Paul BauerMerge branch release-2018 into release-2019
2019-05-22 Mark AbrahamMove functionality to mdrunutility
2019-03-28 Roland SchulzFix UB vector usage
2019-03-07 Mark AbrahamEliminate mdlib/mdrun.h
2019-03-06 Mark AbrahamRevert "Eliminate mdlib/mdrun.h"
2019-03-06 Mark AbrahamEliminate mdlib/mdrun.h
2019-03-02 Mark AbrahamMerge branch release-2019
2019-02-20 Paul BauerMerge branch 'release-2019' into master
2019-02-04 Roland SchulzRename all source files from - to _ for consistency.
2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019
2019-01-25 Berk HessFix LINCS bug from recent commit 211039fc
2019-01-23 Roland SchulzMerge release-2019 into master
2019-01-23 Roland SchulzMerge release-2018 into release-2019
2019-01-02 Szilárd PállFix clang 6 warning
2019-01-02 Mark AbrahamMerge branch release-2019
2018-12-31 Paul BauerMerge branch release-2018 into release-2019
2018-12-27 Szilárd PállUse std::swap in LINCS
2018-12-27 Berk HessUse AtomPair for LINCS indexing
2018-12-27 Berk HessUse arrayref in LINCS
2018-12-19 Paul BauerMerge "Merge release-2019 branch into master"
2018-12-18 Szilárd PállMerge release-2019 branch into master
2018-12-18 Berk HessUse std::vector in LINCS
2018-12-17 Paul BauerMerge branch release-2018 into release-2019
2018-12-14 Berk HessFixed nullptr derefence in LINCS error
2018-12-14 Berk HessFix LINCS triangle constraining with OpenMP
2018-11-21 Paul BauerMerge branch release-2018 into release-2019
2018-10-26 Mark AbrahamMerge branch release-2018 into release-2019
2018-10-09 Roland SchulzFix MSAN errors
2018-10-08 Berk HessEnable update groups
2018-10-05 Mark AbrahamChange to test TSAN with clang and libomp
2018-10-04 Berk HessMake AVX2 pass TSAN
2018-09-14 Berk HessChange gmx_moltype_t.ilist to InteractionLists
2018-09-14 Roland SchulzWarn for type mismatch for gmx printf like functions 3/3
2018-09-13 Berk HessAdd C++ version of t_ilist
2018-08-29 Mark AbrahamMerge branch release-2018
2018-08-24 Mark AbrahamMerge branch release-2018
2018-08-18 Roland Schulzreadability-implicit-bool-conversion 1/2
2018-08-18 Roland Schulzclang-tidy modernize
2018-08-18 Roland Schulzclang-tidy: google tests applicable
2018-08-12 Roland Schulz3/3 of old-style casting
2018-08-08 Roland SchulzRemove gmx custom fixed int (e.g. gmx_int64_t) types
2018-07-16 Roland SchulzWarn for type mismatch for gmx printf like functions 1/3
2018-07-14 Roland SchulzMSVC: enable code analysis
2018-07-04 Roland SchulzMerge release-2018 into master
2018-07-01 Roland Schulzclang-tidy: readability-non-const-parameter (2/2)
2018-06-29 Berk HessConvert gmx_domdec_constraints_t to C++
2018-06-28 Roland SchulzClang-tidy: enable further tests
2018-06-14 Berk HessIntroduced DDAtomRanges class
2018-06-13 Berk HessRemove LINCS prints to log file
2018-06-13 Mark AbrahamUse initializer lists for Lincs and Task
2018-06-13 Mark AbrahamUse more containers and views for constraints code
2018-06-06 Berk HessClean up make_at2con
2018-06-05 Mark AbrahamSeparate flexible constraint counting
2018-06-05 Mark AbrahamMake Constraints a proper class
2018-05-04 Mark AbrahamMerge "Merge branch release-2018"
2018-05-04 Mark AbrahamMore const correctness
2018-05-03 Mark AbrahamMerge branch release-2018
2018-04-13 Mark AbrahamMerge branch release-2018
2018-04-13 Mark AbrahamClean up constraints code
2018-04-03 Berk HessConvert gmx_mtop_t to C++
2018-03-28 Mark AbrahamMerge branch release-2018
2018-03-13 Mark AbrahamAdd more const to uses of t_commrec and t_inputrec
2018-03-06 Mark AbrahamMerge branch release-2018
2018-02-28 Mark AbrahamReorganized constraint code