biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
alexxy/gromacs.git
2020-02-28 Paul BauerVersion 2019.6 commit | commitdiff | tree | snapshot
2020-02-26 Szilárd PállAvoid mdrun terminate due to GPU sanity check errors commit | commitdiff | tree | snapshot
2020-02-26 Pascal MerzFix calculation of reciprocal terms in rerun commit | commitdiff | tree | snapshot
2020-02-22 David van der... Fixed bug in gmx disre due to inconsistency in input. commit | commitdiff | tree | snapshot
2020-02-20 David van der... Fixed bug in orires code that was checking too strict. commit | commitdiff | tree | snapshot
2020-02-05 Berk HessActually fix PME forces with FE without perturbed q/LJ commit | commitdiff | tree | snapshot
2020-01-07 Roland SchulzWorkaround for ICC 19u5 and 20initial commit | commitdiff | tree | snapshot
2019-12-23 Paul BauerPrepare for GROMACS 2019.6 commit | commitdiff | tree | snapshot
2019-12-23 Paul BauerGROMACS version 2019.5 commit | commitdiff | tree | snapshot
2019-12-23 Paul BauerRevert "Fix that tests intended for multiple ranks... commit | commitdiff | tree | snapshot
2019-12-20 Christian BlauRemove problematic output of gmx angle commit | commitdiff | tree | snapshot
2019-12-17 Paul BauerFix formatting error commit | commitdiff | tree | snapshot
2019-12-17 Mark AbrahamFix that tests intended for multiple ranks run that way commit | commitdiff | tree | snapshot
2019-12-16 Szilárd PállFix the GPU bonded stream with 1 PP + 1 PME rank commit | commitdiff | tree | snapshot
2019-12-16 Paul BauerFix torsion angle calculation commit | commitdiff | tree | snapshot
2019-12-13 Paul BauerCheck for using correct hwloc headers and runtime commit | commitdiff | tree | snapshot
2019-12-10 Mark AbrahamSimplify gmxapi RPATH handling commit | commitdiff | tree | snapshot
2019-12-06 Christian BlauChange arbitrary units to counts in RMSD distance distr... commit | commitdiff | tree | snapshot
2019-11-28 Berk HessRemove assertion failure in AWH without initial stage commit | commitdiff | tree | snapshot
2019-11-26 Berk HessFix issues with AWH with periodic pulling commit | commitdiff | tree | snapshot
2019-11-25 Christian BlauFix duplicate CONNECT records in pdb files commit | commitdiff | tree | snapshot
2019-11-18 Berk HessFix intermolecular interactions with DD commit | commitdiff | tree | snapshot
2019-11-07 Berk HessFix .gro large box writing commit | commitdiff | tree | snapshot
2019-11-06 Erik LindahlWork around broken Apple compilers in Mac OS 10.15 commit | commitdiff | tree | snapshot
2019-10-23 Berk HessFix illegal memory access in FE calculations commit | commitdiff | tree | snapshot
2019-10-09 Berk HessIncrease spc minimization test tolerance commit | commitdiff | tree | snapshot
2019-10-09 Berk HessFix harmless OpenMP write race commit | commitdiff | tree | snapshot
2019-10-09 Berk HessFix GPU atom data init timer issue commit | commitdiff | tree | snapshot
2019-10-09 Berk HessFix random energy and virial with PME on GPU on a PME... commit | commitdiff | tree | snapshot
2019-10-02 Carsten KutznerUpdate the www link to the Doxygen documentation in... commit | commitdiff | tree | snapshot
2019-10-02 Paul BauerPrepare for 2019.5 commit | commitdiff | tree | snapshot
2019-10-02 Paul BauerGROMACS version 2019.4 commit | commitdiff | tree | snapshot
2019-10-01 Paul BauerFix chain ID handling in make_ndx commit | commitdiff | tree | snapshot
2019-10-01 Berk HessAlways output correct kinetic at last step commit | commitdiff | tree | snapshot
2019-09-30 Berk HessActually fix gmx wham with angle geometries commit | commitdiff | tree | snapshot
2019-09-27 Mark AbrahamFix gro file output with index groups commit | commitdiff | tree | snapshot
2019-09-23 Berk HessLimit Zen nbnxm kernel choice to Zen 1 commit | commitdiff | tree | snapshot
2019-09-22 Christoph Junghansworkaround for rhel bug #1749463, cmake bug #18349 commit | commitdiff | tree | snapshot
2019-09-21 Berk HessFix incorrect shift forces for CMAP commit | commitdiff | tree | snapshot
2019-09-03 Erik LindahlFix CPU detection and SIMD on modern Mac/cmake combos commit | commitdiff | tree | snapshot
2019-09-02 Berk HessFix incorrect rvdw on GPU with rvdw<rcoulomb commit | commitdiff | tree | snapshot
2019-08-26 Berk HessFix grompp constraints=all-angles with constraints commit | commitdiff | tree | snapshot
2019-08-23 Erik LindahlDefault to AVX2_256 SIMD for Zen2 commit | commitdiff | tree | snapshot
2019-08-20 Berk HessFix missing bonded forces with CUDA GPUs and DD commit | commitdiff | tree | snapshot
2019-08-06 Mark AbrahamFix for MSVC+CUDA commit | commitdiff | tree | snapshot
2019-08-02 Berk HessMade gmx disre work with non-consecutively labeled... commit | commitdiff | tree | snapshot
2019-08-02 yongwangCPHSolve issue with demux.pl commit | commitdiff | tree | snapshot
2019-07-29 Berk HessFix segmentation fault with cosine pulling commit | commitdiff | tree | snapshot
2019-07-09 David van der... Fixed small bug in gmx anaeig commit | commitdiff | tree | snapshot
2019-07-09 Paul BauerFix link to acpype repository commit | commitdiff | tree | snapshot
2019-07-08 Paul BauerFix issues found by clang-tidy 7 commit | commitdiff | tree | snapshot
2019-07-02 Mark AbrahamClarify wording of release notes commit | commitdiff | tree | snapshot
2019-07-02 Paul BauerFix bug in gmx xpm2ps commit | commitdiff | tree | snapshot
2019-06-19 Szilárd PállDisable PME GPU on Apple OpenCL commit | commitdiff | tree | snapshot
2019-06-14 Paul BauerPrepare for 2019.4 commit | commitdiff | tree | snapshot
2019-06-14 Paul BauerVersion 2019.3 commit | commitdiff | tree | snapshot
2019-06-14 Paul BauerMerge branch release-2018 into release-2019 commit | commitdiff | tree | snapshot
2019-06-12 Paul BauerFix qsort not being defined on Apple Clang commit | commitdiff | tree | snapshot
2019-06-11 Mark AbrahamInitialize all of gmx_domdec_comm_t commit | commitdiff | tree | snapshot
2019-06-11 Paul BauerFix residue and molecule indexing in selections commit | commitdiff | tree | snapshot
2019-06-11 Paul BauerExtend information for gmxcpp syntax error. commit | commitdiff | tree | snapshot
2019-06-11 Berk HessAllow AWH geometry 'direction' to be periodic commit | commitdiff | tree | snapshot
2019-06-11 Paul BauerAdd check for too many grid points in hbond commit | commitdiff | tree | snapshot
2019-06-10 Berk HessFix gmx wham with angle geometries commit | commitdiff | tree | snapshot
2019-06-05 Berk HessFix reference SIMD memory alignment commit | commitdiff | tree | snapshot
2019-05-29 Berk HessFix missing intermolecular interactions with DD commit | commitdiff | tree | snapshot
2019-05-29 Paul BauerVersion 2018.7 commit | commitdiff | tree | snapshot
2019-05-27 Berk HessWork around gcc 7 avx512 bug commit | commitdiff | tree | snapshot
2019-05-27 Paul BauerAdd more info for wrong line endings commit | commitdiff | tree | snapshot
2019-05-24 Paul BauerFix PQR formatting commit | commitdiff | tree | snapshot
2019-05-24 Paul BauerFix membrane embedding commit | commitdiff | tree | snapshot
2019-05-23 Berk HessFix SHAKE dH/dlambda contributions commit | commitdiff | tree | snapshot
2019-05-23 Mark AbrahamRevert "Fixed dvdlambda for SHAKE + FE" commit | commitdiff | tree | snapshot
2019-05-23 Paul BauerAdd check for allocating too many interactions commit | commitdiff | tree | snapshot
2019-05-20 Mark AbrahamFix equation typo commit | commitdiff | tree | snapshot
2019-05-14 Berk HessCorrect user guide postion restraint virial commit | commitdiff | tree | snapshot
2019-05-13 Paul BauerPrepare for 2018.7 commit | commitdiff | tree | snapshot
2019-05-07 Mark AbrahamAdd an example of using an MPI wrapper compiler commit | commitdiff | tree | snapshot
2019-05-03 Berk HessRemoved non-existent AWH mdp option commit | commitdiff | tree | snapshot
2019-05-02 Paul BauerFix FPE in do_steep commit | commitdiff | tree | snapshot
2019-04-16 Paul BauerPrepare for version 2019.3 commit | commitdiff | tree | snapshot
2019-04-16 Paul BauerVersion 2019.2 commit | commitdiff | tree | snapshot
2019-04-16 Paul BauerFix off-by-one error in gmx cluster commit | commitdiff | tree | snapshot
2019-04-16 Berk HessMake mdrun -nsteps work again. commit | commitdiff | tree | snapshot
2019-04-15 Berk HessUpdate 2019 release notes for issue 2845 commit | commitdiff | tree | snapshot
2019-04-15 Szilárd PállAdd user guide note on AVX512 throttle in GPU runs commit | commitdiff | tree | snapshot
2019-04-15 Berk HessFix pdb-related issues commit | commitdiff | tree | snapshot
2019-04-15 Berk HessDisallow pull geometry direction-periodic with AWH commit | commitdiff | tree | snapshot
2019-04-13 Mark AbrahamFix self-consistency tests of hwloc data structures commit | commitdiff | tree | snapshot
2019-04-12 Mark AbrahamImprove warning messages about duplicate definitions commit | commitdiff | tree | snapshot
2019-04-09 Mark AbrahamFix typo in AVX512 detection code commit | commitdiff | tree | snapshot
2019-04-05 David van der... Fixed manual for dihedral restraints. commit | commitdiff | tree | snapshot
2019-04-05 Морозов ДмитрийFixes bug in l-bfgs. commit | commitdiff | tree | snapshot
2019-04-05 Szilárd PállRevert "Temporarily disable ARM HPC compiler in post... commit | commitdiff | tree | snapshot
2019-04-04 Paul BauerFix segmentation fault with simulated annealing commit | commitdiff | tree | snapshot
2019-04-02 Szilárd PállTemporarily disable ARM HPC compiler in post-submit commit | commitdiff | tree | snapshot
2019-03-28 Szilárd PállBetter document GMX_OPENMP_MAX_THREADS commit | commitdiff | tree | snapshot
2019-03-27 Roland SchulzFix UB vector usage commit | commitdiff | tree | snapshot
2019-03-19 Mark AbrahamPrevented FFTW build errors with clang and AVX-512 commit | commitdiff | tree | snapshot
2019-03-13 Mark AbrahamProvide reminder of which nvcc is in use commit | commitdiff | tree | snapshot
next
Local GROMACS mirror with custom stuff