biod.pnpi.spb.ru / alexxy / gromacs.git / history
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
Fix typos regarding FindPython3 CMake module hint.
[alexxy/gromacs.git] / src /
2021-09-28 Berk HessFix bug with vsites, DD, OpenMP and large systems tree | commitdiff
2021-09-15 Mark AbrahamMake static selections of large index groups work. tree | commitdiff
2021-09-14 Mark AbrahamClang-format tree | commitdiff
2021-09-13 Magnus LundborgCalculate FEP (GPU) splines for all atoms. tree | commitdiff
2021-09-13 Mark AbrahamFix issues from downstream patches and suppressions tree | commitdiff
2021-09-10 Mark AbrahamWord SIMD report better tree | commitdiff
2021-09-09 Andrey AlekseenkoFix typo in selectSpreadKernelPtr causing wrong kernel... tree | commitdiff
2021-09-09 Andrey AlekseenkoEnable GPU PME unit tests tree | commitdiff
2021-08-30 Berk HessFix grompp note on comm removal with posres tree | commitdiff
2021-08-18 Mark AbrahamEnsure restart with update groups always works tree | commitdiff
2021-08-18 Berk HessFix mdrun -ddorder pp_pme tree | commitdiff
2021-08-17 Andrey AlekseenkoMake ExpfitTest.EffnERREST well defined tree | commitdiff
2021-08-12 Mark AbrahamFix bugs in gmx chi and gmx angle tree | commitdiff
2021-06-21 Eliane BriandReworked convert-tpr runtime extension tree | commitdiff
2021-06-16 Mark AbrahamFix reporting of quadrupole moment tree | commitdiff
2021-06-01 Paul BauerFix gmx nmr -viol option tree | commitdiff
2021-05-27 Berk HessAdd AWH references tree | commitdiff
2021-05-24 Berk HessFix incorrectly sized ga2la hash table tree | commitdiff
2021-05-19 Andrey AlekseenkoRemove accidental use of RDTSCP with GMX_USE_RDTSCP=off tree | commitdiff
2021-05-18 Roland SchulzFix build with clang-cuda tree | commitdiff
2021-05-05 Paul BauerFix include order tree | commitdiff
2021-05-05 Pascal MerzZero modular simulator total energy tree | commitdiff
2021-05-05 Mark AbrahamRestore pull output to rerun tree | commitdiff
2021-05-03 Artem ZhmurovFix copyright year tree | commitdiff
2021-05-03 Mark AbrahamRespect umask when creating temporary file tree | commitdiff
2021-05-03 Mark AbrahamFully define IndexGroupsAndNames tree | commitdiff
2021-05-03 Szilárd PállAllow using CPU PME with DD and GPU update tree | commitdiff
2021-04-30 Mark AbrahamProhibit SETTLE interactions on atoms with perturbed... tree | commitdiff
2021-04-30 Christoph Junghansfix build on F34 tree | commitdiff
2021-04-26 Paul BauerFix incorrect handling of single residue chains tree | commitdiff
2021-04-22 Andrey AlekseenkoFix buffer overrun when invalid value passed to numPbcD... tree | commitdiff
2021-04-22 Paul BauerFix build with gcc-11 tree | commitdiff
2021-04-15 Andrey AlekseenkoEnsure coordinates are copied for dipole moment calculation tree | commitdiff
2021-04-11 Paul BauerFix Apple OpenCL build and add to CI tree | commitdiff
2021-04-07 Pascal MerzFatal error if options are incompatible with modular... tree | commitdiff
2021-03-25 Berk HessFix grompp position restraint reference check tree | commitdiff
2021-03-23 Paul BauerPrevent creating string from nullptr in plugin loading tree | commitdiff
2021-03-15 Dmitry MoskalchukFix build for Folding@home tree | commitdiff
2021-03-15 Mark AbrahamFix OpenCL build on OSX tree | commitdiff
2021-03-11 Andrey AlekseenkoDisable GPU update in the presence of frozen atoms tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-03-03 Pascal MerzRemove velocity from partially frozen atoms in md-vv tree | commitdiff
2021-03-02 Magnus LundborgDisable awh-potential=convolved when using AWH with... tree | commitdiff
2021-03-01 Mark AbrahamVarious fixes for gmx xpm2ps tree | commitdiff
2021-03-01 Berk HessFix mass perturbation to dH/dlambda tree | commitdiff
2021-02-26 Mark AbrahamFix MiMiC with vsites tree | commitdiff
2021-02-26 Magnus LundborgIntroduce a check (in grompp) that AWH FEP sampling... tree | commitdiff
2021-02-25 Pascal MerzDisable cos acceleration for non leap-frog code paths tree | commitdiff
2021-02-23 Paul BauerFix range check bug in gmx covar tree | commitdiff
2021-02-19 Andrey AlekseenkoCorrect docs and add safeguard for non-pulsed electric... tree | commitdiff
2021-02-10 Berk HessFix gmx_rmpbc_init with InteractionDefinitions tree | commitdiff
2021-02-09 Artem ZhmurovFix clang-format tree | commitdiff
2021-02-09 Paul BauerFix range check bug in gmx covar tree | commitdiff
2021-02-05 Mark AbrahamEnsure GoogleTest builds properly tree | commitdiff
2021-02-04 Mark AbrahamFix refactoring issue tree | commitdiff
2021-02-03 Mark AbrahamFix handling of tip4p in pdb2gmx tree | commitdiff
2021-02-03 Andrey AlekseenkoInitialize rollingPruningNumParts in init_plist tree | commitdiff
2021-02-02 Szilárd PállImprove DLB recommendation tree | commitdiff
2021-02-01 Mark AbrahamAdd necessary include tree | commitdiff
2021-01-28 Paul BauerFix formatting in random/seed.cpp tree | commitdiff
2021-01-27 Andrey AlekseenkoSYCL: fix typo in a test and clean-up non-standard... tree | commitdiff
2021-01-26 Szilárd PállChange default Ewald kernel to tabulated on NVIDIA... tree | commitdiff
2021-01-26 Mark AbrahamFix default for xpm2gmx tick-mark spacings tree | commitdiff
2021-01-26 Pascal MerzEnable grompp to read virtual_site1 tree | commitdiff
2021-01-25 Mark AbrahamLog progress from gmx msd better tree | commitdiff
2021-01-22 Szilárd PállDisable CUDA textures also on NVIDIA Ampere A100 tree | commitdiff
2021-01-21 Mark AbrahamEnsure residue name used by pdb2gmx matches rtp name tree | commitdiff
2021-01-21 Andrey AlekseenkoKeep the number of tMPI ranks consistent with the numbe... tree | commitdiff
2021-01-21 Mark AbrahamSuggest a workaround for pulling with -deffnm tree | commitdiff
2021-01-20 Mark AbrahamDescribe the configured precision correctly for mdrun tree | commitdiff
2021-01-20 Paul BauerFix TPR handling for older versions. tree | commitdiff
2021-01-20 Mark AbrahamFix PaddedVector move constructor tree | commitdiff
2021-01-19 Berk HessChange default MTS force group selection tree | commitdiff
2021-01-19 Szilárd PállDisable CUDA textures on NVIDIA Volta tree | commitdiff
2021-01-19 Pascal MerzFix modular simulator log writing in fresh simulation... tree | commitdiff
2021-01-19 Szilárd PállAdd G. Gouaillardet to the list of contributors tree | commitdiff
2021-01-12 Berk HessAvoid NMR restraints calls for MTS levels > 0 tree | commitdiff
2021-01-09 Andrey Alekseenkodensityfit: Fix typo in use of iterators tree | commitdiff
2021-01-08 Gilles GouaillardetARM_SVE: misc fixes tree | commitdiff
2021-01-07 Gilles Gouaillardetarm_sve: fix GMX_SIMD_HAVE_4NSIMD_UTIL_{FLOAT,DOUBLE... tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-01-07 Paul BauerWrite copyright output files as utf8 tree | commitdiff
2021-01-05 Kevin BoydFix broken random seed generation. tree | commitdiff
2021-01-05 Kevin BoydFix broken random seed generation. tree | commitdiff
2021-01-05 Christian BlauFix copyright year tree | commitdiff
2021-01-01 Michael ShirtsExpanded ensemble changes. tree | commitdiff
2020-12-18 Alan GrayStage bonded kernel atomics through shared memory tree | commitdiff
2020-12-17 Mark AbrahamUpdate CI image to OneAPI 2021.1.1, add ICC tests. tree | commitdiff
2020-12-15 Mark AbrahamUpdate deprecation statuses tree | commitdiff
2020-12-14 Paul BauerFix pull group index handling tree | commitdiff
2020-12-14 Magnus LundborgFix incorrect AWH free-energy output with multiple... tree | commitdiff
2020-12-11 Pascal MerzRestrict force frame comparison for FEP tests tree | commitdiff
2020-12-11 Pascal MerzFix trx frame reading from modular simulator checkpoint... tree | commitdiff
2020-12-10 Berk HessA check for perturbed listed pairs beyond rlist tree | commitdiff
2020-12-09 Paul BauerFix indexing bug in electric field module tree | commitdiff
2020-12-09 Andrey AlekseenkoFix defining of EXCLUSION_FORCES in CUDA/OpenCL kernels tree | commitdiff
2020-12-09 Mark AbrahamFix compilation and tests with icc 19.1.2 tree | commitdiff
2020-12-09 Pascal MerzFix and activate tests for kv-tree checkpoint functions tree | commitdiff
2020-12-09 Pascal MerzFix dump of checkpoint files tree | commitdiff
2020-12-07 Pascal MerzFix Nose-Hoover conserved energy tree | commitdiff
next
Local GROMACS mirror with custom stuff