biod.pnpi.spb.ru / alexxy / gromacs.git / history
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
Tidy up the FE kernel
[alexxy/gromacs.git] / docs /
2019-09-10 Paul BauerAdd method to extract clusters from trajectory tree | commitdiff
2019-09-10 Pascal MerzCompositeSimulatorElement for the modular simulator tree | commitdiff
2019-09-10 Pascal MerzCoordinate Propagators tree | commitdiff
2019-09-10 Pascal MerzConstraint element for the modular simulator tree | commitdiff
2019-09-09 Pascal MerzDomain decomposition and PME load balancing for modular... tree | commitdiff
2019-09-09 Paul BauerAdd gmx convert-trj tree | commitdiff
2019-09-07 Pascal MerzForceElement and ShellFCElement for the modular simulator tree | commitdiff
2019-09-06 Pascal MerzComputeGlobalsElement for the modular simulator tree | commitdiff
2019-09-05 Pascal MerzIntroduce topology class for modular simulator tree | commitdiff
2019-09-05 Pascal MerzRename MicroState to StatePropagatorData for modular... tree | commitdiff
2019-09-03 Pascal MerzIntroduce energy element for modular simulator tree | commitdiff
2019-08-28 Pascal MerzIntroduce MicroState for modular simulator tree | commitdiff
2019-08-28 Pascal MerzIntroduce signallers for modular integrator tree | commitdiff
2019-08-28 Mark AbrahamFix integration issues tree | commitdiff
2019-08-28 Pascal MerzIntroduce the main modular simulator interfaces and... tree | commitdiff
2019-08-28 Mark AbrahamImproved usability of grompp by rejecting more invalid... tree | commitdiff
2019-08-26 Paul BauerRemove section checking api level tree | commitdiff
2019-08-26 Christian BlauActivation of density fitting and move of module notifi... tree | commitdiff
2019-08-23 Paul BauerRemoves checker for installed files tree | commitdiff
2019-08-23 Mark AbrahamUpdate clang-tidy to clang version 8 tree | commitdiff
2019-08-22 Mark AbrahamMerge branch release-2019 tree | commitdiff
2019-08-20 Mark AbrahamUse potential-shift as default modifier tree | commitdiff
2019-08-20 Mark AbrahamFix issues for clang-analyzer-8 tree | commitdiff
2019-08-20 Berk HessFix missing bonded forces with CUDA GPUs and DD tree | commitdiff
2019-08-16 Mark AbrahamStop nbnxm/grid.h depending on SIMD module tree | commitdiff
2019-08-15 Szilárd PállFix OpenCL gather reduction tree | commitdiff
2019-08-14 Christian BlauInternal parameter storage for IMDModules tree | commitdiff
2019-08-09 Berk HessSIMD acceleration for F_FOURDIHS and F_PIDIHS tree | commitdiff
2019-08-08 Mark AbrahamStop testing ICC on Windows tree | commitdiff
2019-08-08 Christian BlauProvide callbacks/notifications for MDModules tree | commitdiff
2019-08-06 Berk HessFix latex formula in reference manual tree | commitdiff
2019-08-02 Berk HessMade gmx disre work with non-consecutively labeled... tree | commitdiff
2019-08-02 yongwangCPHSolve issue with demux.pl tree | commitdiff
2019-08-01 Mark AbrahamMerge "Merge release-2019 into master" tree | commitdiff
2019-08-01 Paul BauerMerge release-2019 into master tree | commitdiff
2019-07-31 Berk HessAdd grompp warning with use of GROMOS FF tree | commitdiff
2019-07-29 Berk HessFix segmentation fault with cosine pulling tree | commitdiff
2019-07-28 Berk HessRemoved generalized reaction-field tree | commitdiff
2019-07-26 Christian BlauFix failing check-source target on python3.6 tree | commitdiff
2019-07-23 Mark AbrahamUpdate developer guide tree | commitdiff
2019-07-09 David van der SpoelFixed small bug in gmx anaeig tree | commitdiff
2019-07-09 Paul BauerFix link to acpype repository tree | commitdiff
2019-07-08 Mark AbrahamFix hwloc and sphinx detection tree | commitdiff
2019-07-02 Mark AbrahamClarify wording of release notes tree | commitdiff
2019-07-02 M. Eric IrrgangPython detection consolidation. tree | commitdiff
2019-07-02 Paul BauerFix bug in gmx xpm2ps tree | commitdiff
2019-06-28 Magnus LundborgFused GPU bonded kernels tree | commitdiff
2019-06-24 Szilárd PállOnly use AVX512 in own-FFTW if GROMACS also uses it tree | commitdiff
2019-06-19 Szilárd PállDisable PME GPU on Apple OpenCL tree | commitdiff
2019-06-18 Paul BauerExtend ISerializer functionality tree | commitdiff
2019-06-14 Paul BauerPrepare for 2019.4 tree | commitdiff
2019-06-14 Paul BauerVersion 2019.3 tree | commitdiff
2019-06-14 Paul BauerMerge branch release-2018 into release-2019 tree | commitdiff
2019-06-12 Paul BauerFix qsort not being defined on Apple Clang tree | commitdiff
2019-06-11 Paul BauerFix residue and molecule indexing in selections tree | commitdiff
2019-06-11 Paul BauerExtend information for gmxcpp syntax error. tree | commitdiff
2019-06-11 Berk HessAllow AWH geometry 'direction' to be periodic tree | commitdiff
2019-06-11 Paul BauerAdd check for too many grid points in hbond tree | commitdiff
2019-06-10 Berk HessFix gmx wham with angle geometries tree | commitdiff
2019-06-05 Berk HessFix reference SIMD memory alignment tree | commitdiff
2019-05-29 Berk HessFix missing intermolecular interactions with DD tree | commitdiff
2019-05-29 Paul BauerVersion 2018.7 tree | commitdiff
2019-05-27 Berk HessWork around gcc 7 avx512 bug tree | commitdiff
2019-05-27 Paul BauerAdd more info for wrong line endings tree | commitdiff
2019-05-24 Paul BauerFix PQR formatting tree | commitdiff
2019-05-24 Paul BauerFix membrane embedding tree | commitdiff
2019-05-23 Szilárd PállFix mulitple link refs in dev-manual tree | commitdiff
2019-05-23 Mark AbrahamRevert "Fixed dvdlambda for SHAKE + FE" tree | commitdiff
2019-05-23 Paul BauerAdd check for allocating too many interactions tree | commitdiff
2019-05-22 Mark AbrahamRewrite starting behavior tree | commitdiff
2019-05-22 Mark AbrahamIntroduce tri-state enums for restarts tree | commitdiff
2019-05-22 Jinke FanAdd support for Hygon Dhyana processor tree | commitdiff
2019-05-20 Mark AbrahamFix equation typo tree | commitdiff
2019-05-16 Pascal MerzUse Python 3 tree | commitdiff
2019-05-14 Berk HessCorrect user guide postion restraint virial tree | commitdiff
2019-05-13 Paul BauerPrepare for 2018.7 tree | commitdiff
2019-05-13 Paul BauerFix math formatting in reference manual tree | commitdiff
2019-05-08 Mark AbrahamProvide hook for forks of GROMACS to describe themselves tree | commitdiff
2019-05-07 Mark AbrahamAdd an example of using an MPI wrapper compiler tree | commitdiff
2019-05-03 Berk HessRemoved non-existent AWH mdp option tree | commitdiff
2019-05-02 Mark AbrahamEnhance path search functions tree | commitdiff
2019-05-02 Paul BauerFix FPE in do_steep tree | commitdiff
2019-04-25 Paul BauerAdd Interface to change coordinate file info tree | commitdiff
2019-04-25 Mark AbrahamUpdate style guide about class enums tree | commitdiff
2019-04-18 Mark AbrahamCreate gmx::compat::optional tree | commitdiff
2019-04-17 Berk HessRemove group scheme search code tree | commitdiff
2019-04-17 Paul BauerCreate gmx::compat::string_view tree | commitdiff
2019-04-16 Paul BauerPrepare for version 2019.3 tree | commitdiff
2019-04-16 Mark AbrahamRemoved mdrun -gcom tree | commitdiff
2019-04-16 Paul BauerVersion 2019.2 tree | commitdiff
2019-04-16 Paul BauerFix off-by-one error in gmx cluster tree | commitdiff
2019-04-16 Berk HessMake mdrun -nsteps work again. tree | commitdiff
2019-04-15 Berk HessUpdate 2019 release notes for issue 2845 tree | commitdiff
2019-04-15 Szilárd PállAdd user guide note on AVX512 throttle in GPU runs tree | commitdiff
2019-04-15 Berk HessFix pdb-related issues tree | commitdiff
2019-04-15 Berk HessDisallow pull geometry direction-periodic with AWH tree | commitdiff
2019-04-09 Mark AbrahamFix typo in AVX512 detection code tree | commitdiff
2019-04-08 M. Eric IrrgangRemove stale "TODO". tree | commitdiff
2019-04-05 David van der SpoelFixed manual for dihedral restraints. tree | commitdiff
2019-04-05 Морозов ДмитрийFixes bug in l-bfgs. tree | commitdiff
next
Local GROMACS mirror with custom stuff