?  search:
summary | log | graphiclog1 | graphiclog2 | commit | commitdiff | tree | refs | edit | fork
first · prev · next
Fix gmx density for non-mass calculations
2018-01-01 Erik LindahlFix gmx density for non-mass calculations
 commit | commitdiff | tree
2017-10-30 David van der SpoelFixed mdp output from electric field code.
 commit | commitdiff | tree
2017-10-27 Aleksei IupinovRemove unused PME grid dump debug functions
 commit | commitdiff | tree
2017-10-17 David van der SpoelFixed missing entries in nrnb arrays.
 commit | commitdiff | tree
2017-09-04 Teemu MurtolaIntroduce self-pairs search in nbsearch
 commit | commitdiff | tree
2017-09-04 Teemu MurtolaRefactor analysis nbsearch tests
 commit | commitdiff | tree
2017-08-09 Roland SchulzUse table Ewald for Skylake
 commit | commitdiff | tree
2017-08-03 David van der SpoelFixed bug in gmx disres indexing arrays.
 commit | commitdiff | tree
2017-08-02 Berk HessMake loop variables in orires.cpp local
 commit | commitdiff | tree
2017-08-02 Berk HessAdd check for nr of orientation restraints
 commit | commitdiff | tree
2017-07-19 David van der SpoelFixed test-order dependency in gmxpreprocess tests.
 commit | commitdiff | tree
2017-07-19 David van der SpoelFix non-reproducability of clustsize tests.
 commit | commitdiff | tree
2017-04-29 Carsten KutznerMinor header file cleanup in ED, IMD and CompEL modules
 commit | commitdiff | tree
2017-04-22 Mark AbrahamClean up memory usage with oenv and xvg writing
 commit | commitdiff | tree
2017-03-13 Teemu MurtolaImprove option support & tests for key-value trees
 commit | commitdiff | tree
2017-03-13 Teemu MurtolaRemove manual alignment from InMemorySerializer
 commit | commitdiff | tree
2017-03-12 Teemu MurtolaConsistent TextWriter trailing whitespace handling
 commit | commitdiff | tree
2017-03-12 David van der SpoelAdded tests for gmx clustsize.
 commit | commitdiff | tree
2017-03-04 Vedran MiletićDocument that we now support AMD GCN on Mesa/LLVM
 commit | commitdiff | tree
2017-02-28 Berk HessAdd load balance fraction to DLB print
 commit | commitdiff | tree
2017-02-28 Teemu MurtolaMore documentation for key-value trees
 commit | commitdiff | tree
2017-02-27 David van der SpoelFixes bug in gmx solvate with -shell that yielded 0...
commit | commitdiff | tree
2017-02-09 Aleksei IupinovAdd initialization to dvdlambda in bonded forces tests
 commit | commitdiff | tree
2017-02-08 Mark AbrahamRemove docs for unimplemented trjconv -clustercenter
 commit | commitdiff | tree
2017-02-02 Mark AbrahamClarify use of tau-p and pcoupltype
 commit | commitdiff | tree
2017-01-30 Mark AbrahamDon't print invalid performance data
 commit | commitdiff | tree
2016-12-14 Mark AbrahamFix misleading parallelization docs for gmx wham
 commit | commitdiff | tree
2016-11-21 Aleksei IupinovMove hardcoded PME grid indexing constants into header
 commit | commitdiff | tree
2016-11-18 David van der SpoelAdded first tests of bonded force functions.
 commit | commitdiff | tree
2016-11-16 Mark AbrahamEnhanced ArrayRef
 commit | commitdiff | tree
2016-11-16 Mark AbrahamCreated paddedvector.h
 commit | commitdiff | tree
2016-10-24 Teemu MurtolaElectric field mdp parsing using options
 commit | commitdiff | tree
2016-10-24 Teemu MurtolaSupport for default values from Options to KeyValueTree
 commit | commitdiff | tree
2016-10-14 Berk HessApply Berendsen P-couple at nstpcouple steps
 commit | commitdiff | tree
2016-10-14 Teemu MurtolaUse gmx_mtop_t in selections, part 3
 commit | commitdiff | tree
2016-10-13 Teemu MurtolaGetter for mapped paths from KeyValueTreeTransform
 commit | commitdiff | tree
2016-10-08 Berk HessAdd readConfAndTopology
 commit | commitdiff | tree
2016-10-03 Philip LocheEW3DC for non-neutral systems
 commit | commitdiff | tree
2016-10-01 Berk HessFix inputrec initialization in 4 tools
 commit | commitdiff | tree
2016-09-29 Berk HessUse std::vector in t_state
 commit | commitdiff | tree
2016-09-29 Berk HessAdd flags for optional t_atoms entries
 commit | commitdiff | tree
2016-09-20 Berk HessRemove state duplication in serial runs
 commit | commitdiff | tree
2016-09-20 David van der SpoelMade correlation function routine use std::vector
 commit | commitdiff | tree
2016-09-16 Berk HessMade distance restraints work with threads and DD
 commit | commitdiff | tree
2016-09-15 Aleksei IupinovMove the PME Ewald coefficients to the PME structure
 commit | commitdiff | tree
2016-09-13 Roland SchulzTidy: modernize-use-emplace
 commit | commitdiff | tree
2016-09-13 Berk HessChange ED and swapstate to pointers in t_state
 commit | commitdiff | tree
2016-09-11 Vedran MiletićPrint OpenCL error string instead of error code
 commit | commitdiff | tree
2016-09-10 Berk HessRemove continuation from convert_tpr
 commit | commitdiff | tree
2016-09-10 Aleksei IupinovFix PME data destructor not being called
 commit | commitdiff | tree
2016-09-05 David van der SpoelMerge "Merge branch release-2016"
 commit | commitdiff | tree
2016-08-27 Szilárd PállMake ASAN/TSAN/MSAN build types easier to discover
 commit | commitdiff | tree
2016-08-27 Mark AbrahamStop using gmx_fatal in grompp
 commit | commitdiff | tree
2016-08-27 Teemu MurtolaSupport KeyValueTree objects in refdata
 commit | commitdiff | tree
2016-08-27 Berk HessReduce rounding errors in SETTLE
 commit | commitdiff | tree
2016-08-27 Roland SchulzFix build with GMX_USE_TNG=off
 commit | commitdiff | tree
2016-08-24 David van der SpoelAdded documentation for shell potentials.
 commit | commitdiff | tree
2016-07-31 David van der SpoelMerge "Merge branch release-5-1 into release-2016"...
commit | commitdiff | tree
2016-07-08 Vedran MiletićPrint working dir before command line
 commit | commitdiff | tree
2016-07-08 David van der SpoelMerge "Merge branch release-5-1 into release-2016"...
commit | commitdiff | tree
2016-07-08 Szilárd PállUser guide clarifications
 commit | commitdiff | tree
2016-07-07 Berk HessRelax pull PBC check
 commit | commitdiff | tree
2016-07-03 Berk HessAdd grompp check for pull group
 commit | commitdiff | tree
2016-06-27 David van der SpoelMade gmx dos work again.
 commit | commitdiff | tree
2016-06-26 Berk HessFix vsite bug with MPI+OpenMP
 commit | commitdiff | tree
2016-06-21 Berk HessFix bug with fbposres+MPI+OpenMP
 commit | commitdiff | tree
2016-05-30 Berk HessAdd grompp check for unbound atoms
 commit | commitdiff | tree
2016-05-08 Mark AbrahamFix constants, units and conversion factors
 commit | commitdiff | tree
2016-03-23 David van der SpoelRemoved srenew that was making array smaller incorrectly.
 commit | commitdiff | tree
2016-01-20 David van der SpoelCouple of new quotes
 commit | commitdiff | tree
2015-12-09 Teemu MurtolaSplit txtdump.*, part 1
 commit | commitdiff | tree
2015-12-05 Magnus LundborgWrite forces and velocities to compressed TNG.
 commit | commitdiff | tree
2015-11-24 David van der SpoelFixes newly introduced bug in make_ndx.
 commit | commitdiff | tree
2015-11-23 David van der SpoelMoved domdec structures out of commrec.h.
 commit | commitdiff | tree
2015-11-22 David van der SpoelCleanups in legacyheader/types/commrec.h
 commit | commitdiff | tree
2015-11-21 David van der SpoelMerged legacyheaders/types/qmmmrec.h into mdlib/qmmm.h
 commit | commitdiff | tree
2015-11-20 David van der SpoelMoved legacyheaders/types/group.h to mdtypes.
 commit | commitdiff | tree
2015-11-20 David van der SpoelMerged legacyheaders/types/ns.h and nblist.h to mdtypes...
commit | commitdiff | tree
2015-11-20 David van der SpoelCombine enums.h and names*.
 commit | commitdiff | tree
2015-11-20 Mark AbrahamSplit wallcycle interface
 commit | commitdiff | tree
2015-11-20 David van der SpoelMerged legacyheaders/nrnb.h and types/nrnb.h to gmxlib.
 commit | commitdiff | tree
2015-11-20 David van der SpoelMoved mdatom.h from legacyheader/types to mdtypes.
 commit | commitdiff | tree
2015-11-15 David van der SpoelMerged legacyheaders/types/state.h into mdtypes/state.h
 commit | commitdiff | tree
2015-11-14 Berk HessOptimized the bonded thread force reduction
 commit | commitdiff | tree
2015-11-13 David van der SpoelMoved genborn.h to mdlib
 commit | commitdiff | tree
2015-11-12 David van der SpoelMoved txtdump.* to fileio.
 commit | commitdiff | tree
2015-11-12 David van der SpoelMoved copyrite.* to fileio from gmxlib and legacyheaders.
 commit | commitdiff | tree
2015-10-18 David van der SpoelMoved pbc/cut-off related utilities from typedefs to...
commit | commitdiff | tree
2015-10-15 David van der SpoelFreed memory in legacy statistics routines.
 commit | commitdiff | tree
2015-10-15 Berk HessFixed nbnxn_4xN performance regression
 commit | commitdiff | tree
2015-10-07 Berk HessFix bugs with intermol interactions and DD
 commit | commitdiff | tree
2015-10-03 David van der SpoelRemoved simple.h
 commit | commitdiff | tree
2015-10-02 David van der SpoelRemoved simple.h from nb_kernel_avx_256_XX
 commit | commitdiff | tree
2015-10-01 Teemu MurtolaEnable time unit and selections in ICommandLineOptionsModule
 commit | commitdiff | tree
2015-09-30 David van der SpoelRemoved types/nblist.h and types/nsgrid.h from typedefs.h
 commit | commitdiff | tree
2015-09-30 David van der SpoelRemoved types/mdatom.h from typedefs.h
 commit | commitdiff | tree
2015-09-29 David van der SpoelRemoved types/inputrec.h from typedefs.h and releted...
commit | commitdiff | tree
2015-09-29 Mark AbrahamClean up of tables code
 commit | commitdiff | tree
2015-09-29 Mark AbrahamMove tables.c to new module and C++
 commit | commitdiff | tree
2015-09-29 David van der SpoelFixes bug in the computation of Coefficient of Thermal...
commit | commitdiff | tree
next
The ultimate molecular dynamics simulation package