biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
alexxy/gromacs.git
2016-09-16 Berk HessMerge branch release-2016 commit | commitdiff | tree | snapshot
2016-09-16 Berk HessMade distance restraints work with threads and DD commit | commitdiff | tree | snapshot
2016-09-15 Aleksei IupinovMove the PME Ewald coefficients to the PME structure commit | commitdiff | tree | snapshot
2016-09-13 Berk HessMoved expanded ensemble history to pointer in t_state commit | commitdiff | tree | snapshot
2016-09-13 Roland SchulzTidy: modernize-use-emplace commit | commitdiff | tree | snapshot
2016-09-13 Berk HessChange ED and swapstate to pointers in t_state commit | commitdiff | tree | snapshot
2016-09-12 Mark AbrahamPreliminary clean up of NVML code commit | commitdiff | tree | snapshot
2016-09-12 Berk HessAdd const to thread-MPI functions commit | commitdiff | tree | snapshot
2016-09-12 Vedran MiletićDocument wallcycle counters and subcounters commit | commitdiff | tree | snapshot
2016-09-12 Teemu MurtolaFix various memory leaks commit | commitdiff | tree | snapshot
2016-09-11 Vedran MiletićPrint OpenCL error string instead of error code commit | commitdiff | tree | snapshot
2016-09-10 Berk HessRemove continuation from convert_tpr commit | commitdiff | tree | snapshot
2016-09-10 Aleksei IupinovFix PME data destructor not being called commit | commitdiff | tree | snapshot
2016-09-08 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-09-08 Mark AbrahamBumped patch number to prepare for future 5.1.5 release commit | commitdiff | tree | snapshot
2016-09-07 Mark AbrahamVersion 5.1.4 commit | commitdiff | tree | snapshot
2016-09-07 Mark AbrahamRemoved HIS1 from oplsaa and charmm definitions commit | commitdiff | tree | snapshot
2016-09-07 Mark AbrahamFix LYN charges in amber03 commit | commitdiff | tree | snapshot
2016-09-07 Mark AbrahamFix amber03 HIP charges commit | commitdiff | tree | snapshot
2016-09-07 Teemu MurtolaClean up CTest test management commit | commitdiff | tree | snapshot
2016-09-07 Erik LindahlBump oldest cmake, compiler and CUDA versions required commit | commitdiff | tree | snapshot
2016-09-06 Mark AbrahamWork around glibc 2.23 with CUDA commit | commitdiff | tree | snapshot
2016-09-06 Berk HessFix bug with conjugate-gradient and OpenMP commit | commitdiff | tree | snapshot
2016-09-06 Berk HessConsolidate MD algorithm atom setup commit | commitdiff | tree | snapshot
2016-09-05 David van der... Merge "Merge branch release-2016" commit | commitdiff | tree | snapshot
2016-09-05 Berk HessRe-enable flexible constraints with DD commit | commitdiff | tree | snapshot
2016-09-04 Berk HessMerge branch release-2016 commit | commitdiff | tree | snapshot
2016-09-03 Berk HessClean up PME flags variable use commit | commitdiff | tree | snapshot
2016-09-02 Berk HessMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-09-02 Berk HessFix Parrinello-Rahman with nstpcouple>1 commit | commitdiff | tree | snapshot
2016-08-30 Teemu MurtolaBasic support for transforming KeyValueTrees commit | commitdiff | tree | snapshot
2016-08-30 Berk HessMake virial reproducible commit | commitdiff | tree | snapshot
2016-08-27 Szilárd PállMake ASAN/TSAN/MSAN build types easier to discover commit | commitdiff | tree | snapshot
2016-08-27 Mark AbrahamStop using gmx_fatal in grompp commit | commitdiff | tree | snapshot
2016-08-27 Teemu MurtolaSupport KeyValueTree objects in refdata commit | commitdiff | tree | snapshot
2016-08-27 Berk HessReduce rounding errors in SETTLE commit | commitdiff | tree | snapshot
2016-08-27 Roland SchulzFix build with GMX_USE_TNG=off commit | commitdiff | tree | snapshot
2016-08-25 Jochen HubFixed bug in gmx insert-molecules. commit | commitdiff | tree | snapshot
2016-08-24 Roland SchulzRemove unnecessary ICC warning suppression commit | commitdiff | tree | snapshot
2016-08-24 Berk HessFix Ewald surface+3DC corrections commit | commitdiff | tree | snapshot
2016-08-24 Mark AbrahamRemove hacks for outdated BlueGene support commit | commitdiff | tree | snapshot
2016-08-24 David van der... Added documentation for shell potentials. commit | commitdiff | tree | snapshot
2016-08-24 Berk HessMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-08-23 Berk HessRemove variable precision gro writing commit | commitdiff | tree | snapshot
2016-08-18 Teemu MurtolaCheck for unused refdata values commit | commitdiff | tree | snapshot
2016-08-18 Teemu MurtolaGeneric structured key-value tree for options commit | commitdiff | tree | snapshot
2016-08-18 Teemu MurtolaSupport for non-string option value assignment commit | commitdiff | tree | snapshot
2016-08-17 Teemu MurtolaBasic support for array-of-structs in options commit | commitdiff | tree | snapshot
2016-08-17 Teemu MurtolaGeneralize and simplify option value storage commit | commitdiff | tree | snapshot
2016-08-17 Teemu MurtolaGeneralize option section internals commit | commitdiff | tree | snapshot
2016-08-17 Teemu MurtolaReimplement subsections in Options commit | commitdiff | tree | snapshot
2016-08-17 Berk HessFixed opening of wall table files commit | commitdiff | tree | snapshot
2016-08-15 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2016-08-15 Mark AbrahamFixes for BG/Q platform files and install guide commit | commitdiff | tree | snapshot
2016-08-15 Berk HessReduce FE pair-list memory usage commit | commitdiff | tree | snapshot
2016-08-12 Mark AbrahamBump number to prepare for first patch release commit | commitdiff | tree | snapshot
2016-08-10 Berk HessFix deadlock with thread-MPI commit | commitdiff | tree | snapshot
2016-08-09 Berk HessFix twin-cutoff for GPU LJ pot-switch commit | commitdiff | tree | snapshot
2016-08-05 Erik LindahlFix proper relative tolerance checking in testutils commit | commitdiff | tree | snapshot
2016-08-04 Mark AbrahamVersion 2016 commit | commitdiff | tree | snapshot
2016-08-04 Teemu MurtolaFix/improve doc links in template/README commit | commitdiff | tree | snapshot
2016-08-03 David van der... Three new quotes. commit | commitdiff | tree | snapshot
2016-08-03 Vedran MiletićUse only legal characters in OpenCL cache filename commit | commitdiff | tree | snapshot
2016-08-01 Teemu MurtolaFunction to split delimited strings commit | commitdiff | tree | snapshot
2016-07-31 James GrahamAvoid blank line in writing index file commit | commitdiff | tree | snapshot
2016-07-31 David van der... Merge "Merge branch release-5-1 into release-2016"... commit | commitdiff | tree | snapshot
2016-07-30 Roland SchulzUpdate GCC version for reference build commit | commitdiff | tree | snapshot
2016-07-30 Vedran MiletićDocument gmx_cgsort_t and gmx_domdec_sort_t structs commit | commitdiff | tree | snapshot
2016-07-29 Mark AbrahamImprove handling of gmock and gcc6 commit | commitdiff | tree | snapshot
2016-07-29 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-07-29 David van der... Fixes incorrect charges in OPLS/AA-L for HISD and HISE commit | commitdiff | tree | snapshot
2016-07-28 Mark AbrahamAdd toolchain flags for SSE2 compilation commit | commitdiff | tree | snapshot
2016-07-23 Roland SchulzMerge release-2016 into master commit | commitdiff | tree | snapshot
2016-07-21 Mark AbrahamBumped patch number to prepare for future 5.1.4 release commit | commitdiff | tree | snapshot
2016-07-18 Roland SchulzFix non-parallel build commit | commitdiff | tree | snapshot
2016-07-14 Mark AbrahamFix issues with using int for number of steps commit | commitdiff | tree | snapshot
2016-07-14 Teemu MurtolaUse newer gcc for coverage commit | commitdiff | tree | snapshot
2016-07-13 Mark AbrahamVersion 5.1.3 commit | commitdiff | tree | snapshot
2016-07-12 Mark AbrahamMerge branch release-2016 commit | commitdiff | tree | snapshot
2016-07-12 Mark AbrahamFix trr magic number reading commit | commitdiff | tree | snapshot
2016-07-11 Mark AbrahamFix gmx mdrun -membed -ntmpi -1 commit | commitdiff | tree | snapshot
2016-07-11 Erik LindahlFix membed with partial revert of 29943f commit | commitdiff | tree | snapshot
2016-07-11 Michael ShirtsFix for incorrectly setting expanded ensemble when... commit | commitdiff | tree | snapshot
2016-07-11 Mark AbrahamFix regressiontest download md5sum commit | commitdiff | tree | snapshot
2016-07-09 Mark AbrahamFirst 2016 release candidate commit | commitdiff | tree | snapshot
2016-07-09 Erik LindahlHardware detection clean-up and pre/post-processing commit | commitdiff | tree | snapshot
2016-07-09 Erik LindahlPrevent fragile use cases of checkpoint appending commit | commitdiff | tree | snapshot
2016-07-08 Erik LindahlUpdate affinity checking for Intel compiler commit | commitdiff | tree | snapshot
2016-07-08 Vedran MiletićPrint working dir before command line commit | commitdiff | tree | snapshot
2016-07-08 David van der... Merge "Merge branch release-5-1 into release-2016"... commit | commitdiff | tree | snapshot
2016-07-08 Jochen HubUpdated g_wham for the new pull setup commit | commitdiff | tree | snapshot
2016-07-08 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2016-07-08 David van der... Introduce fatal error for too few frames in gmx dos. commit | commitdiff | tree | snapshot
2016-07-08 Mark AbrahamSimplify SIMD compiler flag construction commit | commitdiff | tree | snapshot
2016-07-08 Erik LindahlAdd detection for ARMv7 cycle counter support commit | commitdiff | tree | snapshot
2016-07-08 Erik LindahlWork around compiler issue with random test commit | commitdiff | tree | snapshot
2016-07-08 Szilárd PállAdd PDF metadata to the manual commit | commitdiff | tree | snapshot
2016-07-08 Szilárd PállUser guide clarifications commit | commitdiff | tree | snapshot
2016-07-07 Erik LindahlReduce hwloc & cpuid test requirements commit | commitdiff | tree | snapshot
2016-07-07 Mark AbrahamMove consistency check for number of threads commit | commitdiff | tree | snapshot
next
Local GROMACS mirror with custom stuff