alexxy/gromacs.git
2021-03-03 Paul BauerGROMACS 2020.6 release
2021-02-26 Paul BauerFix webpage build
2021-02-25 Pascal MerzDisable cos acceleration for non leap-frog code paths
2021-02-23 Paul BauerFix range check bug in gmx covar
2021-01-07 Christian BlauPrepare for GROMACS 2020.6
2021-01-06 Christian BlauGROMACS version 2020.5
2021-01-05 Szilárd PállUpdate src/regressiontests URLs to https
2021-01-05 Kevin BoydFix broken random seed generation.
2021-01-05 Christian BlauFix copyright year
2021-01-01 Michael ShirtsExpanded ensemble changes.
2020-12-14 Paul BauerFix pull group index handling
2020-12-14 Magnus LundborgFix incorrect AWH free-energy output with multiple...
2020-12-09 Paul BauerFix indexing bug in electric field module
2020-12-07 Pascal MerzFix Nose-Hoover conserved energy
2020-12-02 Pascal MerzFix kinetic energy and temperatures reporting
2020-11-26 Berk HessFix pull fatal error message
2020-11-24 Paul BauerFix gmx h2order -d option
2020-11-23 Paul BauerFixes for Intel and container build fixes
2020-11-11 Paul BauerFix gmx do_dssp CHARMM support
2020-11-11 Paul BauerFix segmentation fault in gmx pairdist
2020-11-10 Berk HessFix dHdl and foreign energy clearing at checkpointing
2020-11-10 Pascal MerzFix MTTK constant energy bugs
2020-11-02 Andrey AlekseenkoRework handling of PATH-like variables in GMXRC.bash/zsh
2020-10-22 Artem ZhmurovUse and properly initialize PRNG when hardware random...
2020-10-22 Christian BlauChange outdated remdine references to gitlab
2020-10-21 Berk HessFix pull code bug with DD and atom sets
2020-10-21 Christian BlauEnsure that gmx covar does not access indices out of...
2020-10-21 Christian BlauClarify that mdtutorials are not provided by the gromac...
2020-10-13 Paul BauerFix missing copyright and release notes
2020-10-13 Christian BlauAdd missing header in shake to fix mac clang compilation
2020-10-07 Paul BauerFix excessive hackblock warning output
2020-10-06 Paul BauerPrepare for GROMACS 2020.5
2020-10-06 Paul BauerGROMACS version 2020.4
2020-10-05 Paul BauerFix debug message location
2020-10-02 Paul BauerWork-around for RDRAND returning -1 on Ryzen
2020-10-02 Christian BlauFix FEP lambda interpolation for reruns
2020-10-01 Paul BauerFix post merge acceptance pipeline for release-2020
2020-10-01 Christian BlauFix the FEP lambda interpolation
2020-09-30 Paul BauerUpdate CI on 2020 branch
2020-09-30 Pascal MerzFix bug resetting mdatoms masses to lambda=0 state
2020-09-29 Artem ZhmurovDon't use fah_fsync
2020-09-28 Paul BauerChange download for regressiontest away from gerrit
2020-09-28 Mark AbrahamFix check for BitScanReverse64
2020-09-28 Berk HessFix dispersion correction table generation
2020-09-25 Berk HessFix grompp group handling with frozen system
2020-09-17 Gilles Gouaillardethardware: only check RDTSCP on x86 platforms
2020-09-17 David van der... Add release notes
2020-09-16 Paul BauerBreak off some tests from mdrun tests
2020-09-15 Paul BauerFix missing include for MSVC build
2020-09-10 Gilles Gouaillardetfix check_assign_interactions_atom()
2020-09-03 Szilárd PállMove mixplaced release notes entry
2020-09-03 Alan GrayFix bug in Lincs GPU setup
2020-08-28 Carsten KutznerUpdated an outdated link
2020-08-26 Mark AbrahamPermit build with CUDA 11.0
2020-08-08 Mark AbrahamFix typo in docs
2020-08-07 Christian BlauFixed the mis-fix
2020-07-31 Mark AbrahamRelease configs were using a wrong build type
2020-07-27 Paul BauerRevert "Change builds that use failing docker containers"
2020-07-15 Alexey ShvetsovAllow to compile template with gmx-lagacyapi enabled
2020-07-12 Christoph JunghansCMake: add OpenMP detection to exported target
2020-07-11 M. Eric IrrgangFix libgromacs CMake target install syntax.
2020-07-09 Paul BauerPrepare for GROMACS 2020.4
2020-07-09 Paul BauerGROMACS version 2020.3
2020-07-03 Kevin BoydFix segfault in gmx genrestr.
2020-07-01 Paul BauerChange builds that use failing docker containers
2020-06-26 Paul BauerMake DSSP default path configurable
2020-06-22 Berk HessFix tpxio function type update table
2020-06-16 Artem ZhmurovAdd missing end-of-line in the GPU update assignment...
2020-06-12 Paul BauerFix false initialization values in gmx hbond
2020-06-11 Paul BauerFix false initialization values in gmx hbond
2020-06-10 Paul BauerProper fix for gmx do_dssp
2020-06-05 Paul BauerFix segmentation fault when reading energy terms
2020-06-05 Artem ZhmurovMake a error message less confusing
2020-06-04 Artem ZhmurovUpdate the release notes
2020-06-04 Terry MahaffeyRemove the c++14 flag for CUDA builds on Windows. This...
2020-05-29 Paul BauerCorrect regular expression for clang-tidy.sh
2020-05-25 M. Eric IrrgangReduce console log output from sample_restraint tests.
2020-05-24 M. Eric IrrgangEnable MPI ensemble testing for gmxapi.
2020-05-23 Kevin BoydFix small typo in gmx 2020 release notes
2020-05-22 Paul BauerAvoid parsing of fatalerror.cpp as lint failure
2020-05-21 M. Eric IrrgangNormalize gmxapi related release-2020 job logic.
2020-05-11 Roland SchulzFix Clang Cuda flags
2020-05-11 Roland SchulzFix Clang CUDA for Clang>=9
2020-05-07 Berk HessAvoid warning during PME tuning
2020-05-05 Paul BauerFix copyright
2020-05-04 Paul BauerFix cmake error: Mixed styles of target_link_libraries...
2020-05-01 Paul BauerPrepare for 2020.3
2020-04-30 Paul BauerGROMACS version 2020.2
2020-04-30 Paul BauerPrint base commit for source linters
2020-04-30 Paul BauerFix incorrect header and linter scripts
2020-04-30 Paul BauerDisallow combination of gcc > 9 and IBM_VSX
2020-04-30 Mark AbrahamFix compiler flag reporting
2020-04-29 Artem ZhmurovFix the number of steps check when checkpoint is loaded
2020-04-29 Paul BauerUse test conversion script from source
2020-04-29 Mark AbrahamBaseline commit
2020-04-28 Roland SchulzAdd clang WA
2020-04-28 Roland SchulzFix MSVC 2019 test failures
2020-04-27 Artem ZhmurovFix the removal of COM velocity in case of GPU update
2020-04-27 Paul BauerFix segmentation fault in do_dssp
2020-04-27 Paul BauerBuild python package for documentation builds
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