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Fix typos regarding FindPython3 CMake module hint.
[alexxy/gromacs.git] / api /
2021-06-28 M. Eric IrrgangRestore gmxapi._gmxapi.add_mdmodule() Python functionality. tree | commitdiff
2021-06-18 Alexey ShvetsovAllow to build and install nblib and gmxapi without... tree | commitdiff
2021-03-08 Joe JordanCorrect the dependencies of nblib tests tree | commitdiff
2021-03-05 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2021-02-11 M. Eric IrrgangUse GmxManageMPI variables for gmxapi. tree | commitdiff
2021-02-04 Mark AbrahamDefine M_PI when it is not defined tree | commitdiff
2021-01-28 Paul BauerFix NB-LIB copyright tree | commitdiff
2021-01-28 kanduriFix failing listed-forces test tree | commitdiff
2021-01-26 Paul BauerAdd new sample script for listed forces tree | commitdiff
2021-01-26 ejjordanAdd necessary dependence of sample test on check-nblib tree | commitdiff
2021-01-26 Mark AbrahamStop installing NB-LIB argon-forces-integration binary tree | commitdiff
2021-01-25 Mark AbrahamUse ctest better to run NB-LIB sample code as a test tree | commitdiff
2021-01-25 Joe JordanCheck availability of compile flags at cmake time tree | commitdiff
2021-01-25 ejjordanRename DefaultAngle to HarmonicAngleType in nblib liste... tree | commitdiff
2021-01-20 Paul BauerNBLIB: Remove preprocessor macros tree | commitdiff
2021-01-07 Paul BauerMerge branch release-2020 into merge-2020-into-2021 tree | commitdiff
2020-12-10 Berk HessA check for perturbed listed pairs beyond rlist tree | commitdiff
2020-12-09 Mark AbrahamFix compilation and tests with icc 19.1.2 tree | commitdiff
2020-11-24 Paul BauerMerge branch 'origin/release-2020' into merge-2020... tree | commitdiff
2020-11-17 Joe JordanRemove some extraneous compiler flags from nblib tree | commitdiff
2020-11-10 Paul BauerDisable failing NB-LIB listed forces tests tree | commitdiff
2020-11-10 kanduriNBLIB: Fix build warning from uninitialized array tree | commitdiff
2020-11-09 Joe JordanAdd backend for nblib listed forces API tree | commitdiff
2020-11-04 Mark AbrahamRemove logging from hardware detection tree | commitdiff
2020-11-04 Joe JordanNBLIB listed forces API update tree | commitdiff
2020-11-02 ejjordanUpdate to nblib non-bonded backend tree | commitdiff
2020-11-02 M. Eric IrrgangRemove an unnecessary transitive dependency of imported... tree | commitdiff
2020-10-30 Joe JordanIntroduce nblib versioning tree | commitdiff
2020-10-27 M. Eric IrrgangNormalize FindMPI hints. tree | commitdiff
2020-10-27 M. Eric IrrgangClarify behavior of LegacyMdrunOptions. tree | commitdiff
2020-10-26 M. Eric IrrgangTell gmxapi to look for MPI, when appropriate. tree | commitdiff
2020-10-21 Paul BauerOnly build nblib tests when requested tree | commitdiff
2020-10-20 M. Eric IrrgangUpdate gmxapi version details. tree | commitdiff
2020-10-20 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-15 Andrey AlekseenkoIncrease tolerances for NBlibTest.SpcMethanolForcesAreC... tree | commitdiff
2020-10-12 Gilles GouaillardetFix nblib flags tree | commitdiff
2020-10-09 Szilárd PállFix NBLIB CMake error message tree | commitdiff
2020-10-09 Andrey Alekseenkoapi/nblib/tests/integrator.cpp: Minor changes tree | commitdiff
2020-10-08 Andrey AlekseenkoNBlibTest/IntegratorWorks: Initialize x's and v's tree | commitdiff
2020-10-07 Paul BauerMerge branch 'origin/release-2020' into merge-release... tree | commitdiff
2020-10-02 M. Eric IrrgangLet gmxapi installation record the GROMACS library... tree | commitdiff
2020-09-30 Joe JordanAdd nblib sample script tree | commitdiff
2020-09-29 ejjordanFail gracefully when nblib cannot be built tree | commitdiff
2020-09-29 Joe JordanAdd nblib backend: Part 2 of 2 tree | commitdiff
2020-09-29 M. Eric IrrgangClarifications for ResourceAssignment interface. tree | commitdiff
2020-09-29 M. Eric IrrgangSupport ResourceAssignment interface for tMPI library... tree | commitdiff
2020-09-29 M. Eric IrrgangAllow MPI-enabled clients to provide the library commun... tree | commitdiff
2020-09-29 M. Eric IrrgangUse MpiContextManager to provide MPI communicator. tree | commitdiff
2020-09-29 M. Eric IrrgangRelocate MpiContextManager. tree | commitdiff
2020-09-29 M. Eric IrrgangInterface updates allowing client to provide MPI commun... tree | commitdiff
2020-09-28 Joe JordanAdd nblib backend: Part 1 of 2 tree | commitdiff
2020-09-28 Joe JordanAdd initial nblib public API tree | commitdiff
2020-09-14 M. Eric IrrgangCreate and use SimulationInput module. tree | commitdiff
2020-08-31 Paul BauerMerge branch 'release-2020' into master tree | commitdiff
2020-08-18 M. Eric IrrgangAllow more granularity for public interfaces in build... tree | commitdiff
2020-07-30 M. Eric IrrgangMove sources for libgmxapi. tree | commitdiff
2020-07-29 M. Eric IrrgangUse GMXAPI CMake option guard for gmxapi target declara... tree | commitdiff
2020-07-15 M. Eric IrrgangBegin moving installed interface to `api/` tree | commitdiff
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