biod.pnpi.spb.ru / alexxy / gromacs.git / history
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
Write forces and velocities to compressed TNG.
[alexxy/gromacs.git] / src /
2015-12-05 Magnus LundborgWrite forces and velocities to compressed TNG. tree | commitdiff
2015-12-03 Mark AbrahamRemove mdrun -compact tree | commitdiff
2015-12-03 Teemu MurtolaMove strdb.* to utility/ tree | commitdiff
2015-12-03 Teemu MurtolaMove filenm.* to commandline tree | commitdiff
2015-12-02 Teemu MurtolaSplit filenm.* tree | commitdiff
2015-12-02 Berk HessIncrease pdb chain ids to 62 in output tree | commitdiff
2015-12-02 Berk HessRefactored set_pbc_dd tree | commitdiff
2015-12-02 Berk HessMade t_inputrec const in PME load balancing tree | commitdiff
2015-12-02 Mark AbrahamRemove twin-range scheme tree | commitdiff
2015-12-01 Berk HessPull group count for coords stored in tpr tree | commitdiff
2015-12-01 Erik LindahlFixed null-dereferencing bug in vsites tree | commitdiff
2015-11-30 Teemu MurtolaRemove topology -> mdtypes dependency tree | commitdiff
2015-11-30 Teemu MurtolaMerge remaining legacyheaders/types/ to mdtypes/ tree | commitdiff
2015-11-30 Teemu MurtolaMove ifunc.h to gmxlib tree | commitdiff
2015-11-30 Teemu MurtolaMove force_flags.h to mdlib/ tree | commitdiff
2015-11-30 Teemu Murtolalibgromacs CMake source file management cleanup tree | commitdiff
2015-11-30 Teemu MurtolaMove hardware info structs to hardware/ tree | commitdiff
2015-11-30 Mark AbrahamRefactor hardware information management tree | commitdiff
2015-11-30 Magnus LundborgFixed typos in output. tree | commitdiff
2015-11-30 Erik LindahlC++ classes for cpuid and hardware topology tree | commitdiff
2015-11-30 Teemu MurtolaClean up some selection code tree | commitdiff
2015-11-25 Magnus LundborgUse local variables instead of those in *ir. tree | commitdiff
2015-11-25 Mark AbrahamFix logic of dd_print_missing_interactions exit tree | commitdiff
2015-11-24 David van der SpoelFixes newly introduced bug in make_ndx. tree | commitdiff
2015-11-23 Teemu MurtolaMove precision detection symbols to baseversion.* tree | commitdiff
2015-11-23 David van der SpoelMoved domdec structures out of commrec.h. tree | commitdiff
2015-11-22 David van der SpoelCleanups in legacyheader/types/commrec.h tree | commitdiff
2015-11-22 Mark AbrahamFix generic group-scheme kernel table dereferencing tree | commitdiff
2015-11-22 Teemu MurtolaRemove correlationfunctions -> mdtypes dependency tree | commitdiff
2015-11-21 Teemu MurtolaUse v.data() instead of &v[0] for C interop tree | commitdiff
2015-11-21 David van der SpoelMerged legacyheaders/types/qmmmrec.h into mdlib/qmmm.h tree | commitdiff
2015-11-21 David van der SpoelMerged genborn.h from legacyheaders/types into mdlib... tree | commitdiff
2015-11-20 David van der SpoelMoved legacyheaders/types/group.h to mdtypes. tree | commitdiff
2015-11-20 David van der SpoelMerged legacyheaders/types/ns.h and nblist.h to mdtypes... tree | commitdiff
2015-11-20 David van der SpoelCombine enums.h and names*. tree | commitdiff
2015-11-20 Mark AbrahamSplit wallcycle interface tree | commitdiff
2015-11-20 Mark AbrahamRemove ewcWAIT_GPU_NB_L_EST tree | commitdiff
2015-11-20 David van der SpoelMerged legacyheaders/nrnb.h and types/nrnb.h to gmxlib. tree | commitdiff
2015-11-20 David van der SpoelMoved mdatom.h from legacyheader/types to mdtypes. tree | commitdiff
2015-11-20 David van der SpoelMoved legacyheaders/types/energy.h to mdtypes. tree | commitdiff
2015-11-19 Mark AbrahamSimplified init and mdrun code tree | commitdiff
2015-11-18 Berk HessRemoved Reaction-Field-nec tree | commitdiff
2015-11-16 Mark AbrahamFix use of #if vs #ifdef tree | commitdiff
2015-11-16 Mark AbrahamRemove t_adress tree | commitdiff
2015-11-16 Mark AbrahamFix AlignedAllocator with MSVC2015 debug mode tree | commitdiff
2015-11-16 Erik LindahlRemove unused code detected by PGI compiler tree | commitdiff
2015-11-16 Mark AbrahamRemoved state_global from mdrun energy-summation tree | commitdiff
2015-11-16 Mark AbrahamRemove "support" for twin-range with VV integrators tree | commitdiff
2015-11-16 Mark AbrahamMerge branch release-5-1 tree | commitdiff
2015-11-15 Mark AbrahamRemove AdResS tree | commitdiff
2015-11-15 Teemu MurtolaAdd EnumOption with support for proper enum types tree | commitdiff
2015-11-15 David van der SpoelMerged legacyheaders/types/inputrec.h into mdtypes... tree | commitdiff
2015-11-15 Mark AbrahamMove responsibility for FFT description string tree | commitdiff
2015-11-15 David van der SpoelMerged legacyheaders/types/state.h into mdtypes/state.h tree | commitdiff
2015-11-14 Mark AbrahamMoved all cool stuff to its own file tree | commitdiff
2015-11-14 Mark AbrahamFix walltime measurement with bgclang tree | commitdiff
2015-11-14 Teemu MurtolaMove network.h to gmxlib/ tree | commitdiff
2015-11-14 Berk HessOptimized the bonded thread force reduction tree | commitdiff
2015-11-14 Teemu MurtolaMove gmx_ga2la.h to domdec/ tree | commitdiff
2015-11-13 Carsten KutznerIon/water position swapping for multiple ion types... tree | commitdiff
2015-11-13 David van der SpoelReplaced atom_id by int. tree | commitdiff
2015-11-13 Teemu MurtolaRemove t_commrec dependency from cmdlineinit.cpp tree | commitdiff
2015-11-13 Teemu MurtolaMove gmx_detect_hardware.h to gmxlib/ tree | commitdiff
2015-11-13 Teemu MurtolaMove nonbonded.h to gmxlib/nonbonded/ tree | commitdiff
2015-11-13 Teemu MurtolaMerge types/nsgrid.h into nsgrid.h tree | commitdiff
2015-11-13 David van der SpoelMoved genborn.h to mdlib tree | commitdiff
2015-11-12 David van der SpoelMoved txtdump.* to fileio. tree | commitdiff
2015-11-12 David van der SpoelMoved copyrite.* to fileio from gmxlib and legacyheaders. tree | commitdiff
2015-11-11 David van der SpoelMoved inputrec.* from gmxlib and legacyheaders to mdtypes. tree | commitdiff
2015-11-11 Mark AbrahamMerge release-5-0 into release-5-1 tree | commitdiff
2015-11-11 Berk HessFixed (harmless) fp exception in wallcycle_sum tree | commitdiff
2015-11-11 Teemu MurtolaSupport inspecting expected error messages in tests tree | commitdiff
2015-11-11 Teemu MurtolaRemove build system for boost tree | commitdiff
2015-11-10 David van der SpoelRemoved legacyheaders/typedefs.h tree | commitdiff
2015-11-10 Teemu MurtolaRemove remaining boost dependencies tree | commitdiff
2015-11-09 Berk HessCorrect LINCS dHdl contribution tree | commitdiff
2015-11-07 Teemu MurtolaRemove misc. copyrite.h functions tree | commitdiff
2015-11-07 Teemu MurtolaMove gmx_omp_nthreads.h and gmx_thread_affinity.h to... tree | commitdiff
2015-11-06 Teemu MurtolaMove PBC enums to pbc.* tree | commitdiff
2015-11-06 Teemu MurtolaMove ns.h and nsgrid.h to mdlib/ tree | commitdiff
2015-11-06 Teemu MurtolaMove force.h and vsite.h into mdlib/ tree | commitdiff
2015-11-05 Teemu MurtolaMove types/rgb.h to fileio/ tree | commitdiff
2015-11-05 Mark AbrahamMove DD hashing to domdec module tree | commitdiff
2015-11-05 Vedran MiletićUpdate explanation of replica exchange output tree | commitdiff
2015-11-05 Vedran MiletićDocument gmx_repl_ex struct tree | commitdiff
2015-11-05 Mark AbrahamHandle another unused variable tree | commitdiff
2015-11-04 Teemu MurtolaMerge "Merge branch release-5-1" tree | commitdiff
2015-11-04 Mark AbrahamMerge branch release-5-1 tree | commitdiff
2015-11-04 Mark AbrahamEven less moving from unique_ptr tree | commitdiff
2015-11-04 Szilard PallTweak NVML-related messages tree | commitdiff
2015-11-04 Mark AbrahamFix icc 16 issues tree | commitdiff
2015-11-04 Mark AbrahamStop moving from unique_ptr when copy elision works tree | commitdiff
2015-11-03 David van der SpoelMoved df_history utility routines from typedefs to... tree | commitdiff
2015-11-03 Mark AbrahamQuiet warnings with clang-3.7 tree | commitdiff
2015-11-03 Berk HessFix no wallcycle support tree | commitdiff
2015-11-03 Berk HessRemoved nbnxn kernel blendv optimization tree | commitdiff
2015-11-03 Mark AbrahamMerge branch release-5-1 tree | commitdiff
2015-11-03 James W. BarnettOutput replica exchange order description to debug tree | commitdiff
2015-11-02 Berk HessFix intermolecular interactions with small mols tree | commitdiff
2015-11-02 Teemu MurtolaReplace boost::exception_ptr with std::exception_ptr tree | commitdiff
next
Local GROMACS mirror with custom stuff