biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
alexxy/gromacs.git
2020-07-20 Magnus LundborgTwo sets of coefficients for Coulomb FEP PME on GPU commit | commitdiff | tree | snapshot
2020-07-18 Pascal MerzFollow up to "Separate StatePropagatorData element... commit | commitdiff | tree | snapshot
2020-07-17 Pascal MerzIntroduce modular simulator exceptions commit | commitdiff | tree | snapshot
2020-07-15 M. Eric IrrgangBegin moving installed interface to `api/` commit | commitdiff | tree | snapshot
2020-07-15 Pascal MerzSeparate Element from FreeEnergyPerturbationData commit | commitdiff | tree | snapshot
2020-07-15 Mark AbrahamDivide default communicator from DD communicators commit | commitdiff | tree | snapshot
2020-07-15 Artem ZhmurovFix the suspicious string literal error in GPU status... commit | commitdiff | tree | snapshot
2020-07-14 Pascal MerzSeparate energy data and element commit | commitdiff | tree | snapshot
2020-07-11 Christoph Junghanscmake: export cxx standard commit | commitdiff | tree | snapshot
2020-07-10 M. Eric IrrgangFix libgromacs CMake target install syntax. commit | commitdiff | tree | snapshot
2020-07-09 Pascal MerzDivide default communicator from DD communicators commit | commitdiff | tree | snapshot
2020-07-08 Mark AbrahamFix issues found with clang-tidy commit | commitdiff | tree | snapshot
2020-07-08 Kevin BoydUse signed arithmetic in enumeration helper commit | commitdiff | tree | snapshot
2020-07-08 Kevin BoydEnforce unsigned type in flags. commit | commitdiff | tree | snapshot
2020-07-08 Pascal MerzSeparate StatePropagatorData element commit | commitdiff | tree | snapshot
2020-07-07 Christian BlauMove finalising routine into mtop commit | commitdiff | tree | snapshot
2020-07-07 Paul BauerMove densityfitting to its own directory commit | commitdiff | tree | snapshot
2020-07-07 Kevin BoydFix unsigned integer overflow bug in spline tables commit | commitdiff | tree | snapshot
2020-07-07 Kevin BoydAdd stricter ASAN checks commit | commitdiff | tree | snapshot
2020-07-07 Pascal MerzAnnotate modular simulator headers with exposure level commit | commitdiff | tree | snapshot
2020-07-07 Artem ZhmurovMake cl_nbparam into a struct commit | commitdiff | tree | snapshot
2020-07-06 Berk HessMove foreign potential energy accumulation commit | commitdiff | tree | snapshot
2020-07-06 Roland SchulzModernize STL usage commit | commitdiff | tree | snapshot
2020-07-06 Kevin BoydAvoid overflow in RNG commit | commitdiff | tree | snapshot
2020-07-05 Gaurav GargFix cycle counters for "comm.coord" and "Wait + Comm... commit | commitdiff | tree | snapshot
2020-07-03 Joe JordanUse vector in atoms2md instead of pointer commit | commitdiff | tree | snapshot
2020-07-03 Pascal MerzSeparate ModularSimulator and ModularSimulatorAlgorithm commit | commitdiff | tree | snapshot
2020-07-02 Christian BlauCoordinate transformation on single RVecs commit | commitdiff | tree | snapshot
2020-07-01 Roland SchulzSimplify Iterators commit | commitdiff | tree | snapshot
2020-07-01 Paul BauerRevert "Make everything run on Gitlab infrastructure." commit | commitdiff | tree | snapshot
2020-07-01 Christian BlauUpdated the change management documentation commit | commitdiff | tree | snapshot
2020-07-01 M. Eric IrrgangClean up simulatorbuilder.h commit | commitdiff | tree | snapshot
2020-07-01 Paul BauerDisable failing builds for master branch commit | commitdiff | tree | snapshot
2020-06-29 Paul BauerMake everything run on Gitlab infrastructure. commit | commitdiff | tree | snapshot
2020-06-27 M. Eric IrrgangAdd missing ABI header. commit | commitdiff | tree | snapshot
2020-06-26 ejjordanIncrease BD ulp tolerance to avoid spurious test failures commit | commitdiff | tree | snapshot
2020-06-26 Roland SchulzChange ArrayRef to use a proper iterator commit | commitdiff | tree | snapshot
2020-06-26 Paul BauerMinor cleanup in gmx bar commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangImplement SimulatorBuilder.add() for BoxDeformationHandle. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangUse TopologyData. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangUse IonSwapping parameter. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangUse CenterOfMassPulling commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangUse ReplicaExchange member instead of build() argument. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangUse SimulatorModules parameter. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangUse InteractiveMD SimulatorBuilder parameter. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangUse LegacyInput. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangUse ConstraintsParam. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangMove Profiling parameter out of simulatorbuilder.build() commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangUse SimulatorEnv commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangImplement remaining SimulatorBuilder.add() methods. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangInterface for remaining SimulatorBuilder.add() methods. commit | commitdiff | tree | snapshot
2020-06-26 ejjordanCompletely encapsulate membed logic in MembedHolder commit | commitdiff | tree | snapshot
2020-06-26 Artem ZhmurovMake holder for simulation configuration commit | commitdiff | tree | snapshot
2020-06-26 Prashanth KanduriUse SimulatorStateData. commit | commitdiff | tree | snapshot
2020-06-26 ejjordanAdd MembedHolder for SimulatorBuilder. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangSimulatorBuilder.add() for StopHandlerBuilder. commit | commitdiff | tree | snapshot
2020-06-26 M. Eric IrrgangImplement SimulatorBuilder.build() commit | commitdiff | tree | snapshot
2020-06-26 Roland SchulzMKL NULL->nullptr and remove dead code commit | commitdiff | tree | snapshot
2020-06-26 Berk HessMove dispersion correction call to do_force() commit | commitdiff | tree | snapshot
2020-06-25 Mark AbrahamRestored the comment commit | commitdiff | tree | snapshot
2020-06-25 Artem ZhmurovMake cl_nbparam into a struct commit | commitdiff | tree | snapshot
2020-06-24 Paul BauerFix warning about needing config.h commit | commitdiff | tree | snapshot
2020-06-24 Berk HessAdd class ListedForces commit | commitdiff | tree | snapshot
2020-06-24 Berk HessChange grompp disres cost to linear commit | commitdiff | tree | snapshot
2020-06-24 Roland SchulzFix OpenCL install commit | commitdiff | tree | snapshot
2020-06-24 Artem ZhmurovFix minor nit-picks commit | commitdiff | tree | snapshot
2020-06-24 Roland SchulzFix clFFT build without GMX_LOAD_PLUGINS commit | commitdiff | tree | snapshot
2020-06-23 Roland SchulzDon't print pygments error commit | commitdiff | tree | snapshot
2020-06-23 Pascal MerzRefactor simulator comparison tests commit | commitdiff | tree | snapshot
2020-06-23 Mark AbrahamWIP: Finish removing compile_cpp_as_cuda commit | commitdiff | tree | snapshot
2020-06-23 Joe JordanRemove some headers from install targets commit | commitdiff | tree | snapshot
2020-06-23 Berk HessAdd virtual site with one constructing atom commit | commitdiff | tree | snapshot
2020-06-23 Kevin Boyd[WIP] Run regression tests under ASAN commit | commitdiff | tree | snapshot
2020-06-22 Artem ZhmurovRemove DeviceStream include from GPU traits commit | commitdiff | tree | snapshot
2020-06-22 M. Eric IrrgangReformat pairs.cpp commit | commitdiff | tree | snapshot
2020-06-22 M. Eric IrrgangUse Gromacs::gmx target to hint gmxapi tests. commit | commitdiff | tree | snapshot
2020-06-22 Berk HessMove soft-core parameters to interaction_const_t commit | commitdiff | tree | snapshot
2020-06-19 M. Eric IrrgangRemove workaround for gcc bug 58265. commit | commitdiff | tree | snapshot
2020-06-18 Pascal MerzModular simulator: Separate trajectory element and... commit | commitdiff | tree | snapshot
2020-06-18 Paul BauerFix missing #include <string> commit | commitdiff | tree | snapshot
2020-06-18 Christoph Junghanscmake: export gmx target commit | commitdiff | tree | snapshot
2020-06-18 Berk HessConvert t_forcetable to C++ commit | commitdiff | tree | snapshot
2020-06-17 Erik LindahlSimplified uniform GPU selection in CMake commit | commitdiff | tree | snapshot
2020-06-17 Pascal MerzFix style errors in modular simulator propagator commit | commitdiff | tree | snapshot
2020-06-16 M. Eric IrrgangImprove pytest output handling. commit | commitdiff | tree | snapshot
2020-06-15 Erik LindahlReplace trivalue options with plain booleans commit | commitdiff | tree | snapshot
2020-06-12 Artem ZhmurovReplace compile_cpp_as_cuda(...) with CUDA runtime... commit | commitdiff | tree | snapshot
2020-06-11 Erik LindahlReplace trivalue options with plain booleans commit | commitdiff | tree | snapshot
2020-06-10 Erik LindahlReplace automatic rdtscp checks with boolean option commit | commitdiff | tree | snapshot
2020-06-09 Erik LindahlAvoid using AUTO settings in CI builds commit | commitdiff | tree | snapshot
2020-06-09 M. Eric IrrgangCompartmentalize job rules. commit | commitdiff | tree | snapshot
2020-06-09 Artem ZhmurovMake SD stuff private for update.cpp commit | commitdiff | tree | snapshot
2020-06-09 Paul BauerExtract COM handling from trjconv commit | commitdiff | tree | snapshot
2020-06-09 Artem ZhmurovMake SD stuff private for update.cpp commit | commitdiff | tree | snapshot
2020-06-09 M. Eric IrrgangImprove usage of Python logging module. commit | commitdiff | tree | snapshot
2020-06-08 Artem ZhmurovMove constraints related logic to constraints file commit | commitdiff | tree | snapshot
2020-06-08 Kevin BoydReplace nbnxn_buffer_flags_t with vector commit | commitdiff | tree | snapshot
2020-06-08 Artem ZhmurovUnify VdW and Electrostatic kernel enumerations in... commit | commitdiff | tree | snapshot
2020-06-05 Artem ZhmurovMove calculation of kinetic energy to md_support commit | commitdiff | tree | snapshot
2020-06-05 Berk HessRemove COM from SETTLE commit | commitdiff | tree | snapshot
next
Local GROMACS mirror with custom stuff