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alexxy/gromacs.git
2019-02-16 Berk HessMove nbnxn files to nbnxm directory commit | commitdiff | tree | snapshot
2019-02-16 David van der... Tests of restrained listed potentials. commit | commitdiff | tree | snapshot
2019-02-15 Paul BauerFix memory leaks in editconf commit | commitdiff | tree | snapshot
2019-02-15 Szilárd PállExtend GpuEventSynchronizer to allow on-device sync commit | commitdiff | tree | snapshot
2019-02-15 Semen YesylevskyyFixed misleading wording for membed option. commit | commitdiff | tree | snapshot
2019-02-15 Semen YesylevskyyAdd new suggested external trajectory analysis tool commit | commitdiff | tree | snapshot
2019-02-15 Paul BauerFix memory issues in preprocess commit | commitdiff | tree | snapshot
2019-02-15 Paul BauerRefactor vsite topology commit | commitdiff | tree | snapshot
2019-02-13 Szilárd PállMinor refactoring in mdrunnner commit | commitdiff | tree | snapshot
2019-02-13 Paul BauerRefactor rtp renaming commit | commitdiff | tree | snapshot
2019-02-13 Mark AbrahamMake EnergyOutput wrapper class commit | commitdiff | tree | snapshot
2019-02-13 Artem ZhmurovIgnore Visual Studio Code metadata. commit | commitdiff | tree | snapshot
2019-02-13 Mark AbrahamReduce coupling to paddedvector.h commit | commitdiff | tree | snapshot
2019-02-12 Szilárd PállMinor refactor of gpuid / task mapping parsing commit | commitdiff | tree | snapshot
2019-02-12 Mark AbrahamQuiet clang warning commit | commitdiff | tree | snapshot
2019-02-12 Paul BauerRefactor special bonds commit | commitdiff | tree | snapshot
2019-02-12 Paul BauerRefactor t_rbonded and t_rbondeds commit | commitdiff | tree | snapshot
2019-02-12 Paul BauerRefactor t_restp commit | commitdiff | tree | snapshot
2019-02-12 Christian Blau3x3 matrices commit | commitdiff | tree | snapshot
2019-02-12 Mark AbrahamRemove gmx::Regex commit | commitdiff | tree | snapshot
2019-02-11 David van der... Remove buggy debug output. commit | commitdiff | tree | snapshot
2019-02-11 David van der... Tests for polarization functions. commit | commitdiff | tree | snapshot
2019-02-11 Christian Blauview on MultiDimArray commit | commitdiff | tree | snapshot
2019-02-11 Paul BauerRefactor t_hack to MoleculePatches commit | commitdiff | tree | snapshot
2019-02-11 Roland SchulzRemove EmptyArrayRef commit | commitdiff | tree | snapshot
2019-02-11 Paul BauerFix bug in residue type reading commit | commitdiff | tree | snapshot
2019-02-09 Kevin BoydUse more vector in selection index groups structs commit | commitdiff | tree | snapshot
2019-02-09 Paul BauerChange nightly matrix label to not use hwloc commit | commitdiff | tree | snapshot
2019-02-08 David van der... Further increase of tolerance for angles. commit | commitdiff | tree | snapshot
2019-02-08 David van der... Increased tolerance for angle functions. commit | commitdiff | tree | snapshot
2019-02-08 Mark AbrahamFix Intel compiler warning commit | commitdiff | tree | snapshot
2019-02-08 David van der... Increase tolerance in Angle test. commit | commitdiff | tree | snapshot
2019-02-08 Thomas Ullmannseparated .rst documentation of dihedral PCA and hydrog... commit | commitdiff | tree | snapshot
2019-02-08 Mark AbrahamRemove copy_energy from energy-writing steps commit | commitdiff | tree | snapshot
2019-02-08 Mark AbrahamReform energy output tests commit | commitdiff | tree | snapshot
2019-02-08 Roland SchulzFix sign warning commit | commitdiff | tree | snapshot
2019-02-08 David van der... Tests for listed force potentials. commit | commitdiff | tree | snapshot
2019-02-07 Christian Blaumdspan - add bracket operator slicing commit | commitdiff | tree | snapshot
2019-02-07 Roland SchulzRevert size to be unsigned for ArrayRef commit | commitdiff | tree | snapshot
2019-02-07 Roland SchulzAdd ssize and remove static_casts commit | commitdiff | tree | snapshot
2019-02-06 Thomas Ullmannadded a unit test for make_ndx to check generation... commit | commitdiff | tree | snapshot
2019-02-06 Paul BauerRefactor t_hackblock commit | commitdiff | tree | snapshot
2019-02-05 Thomas UllmannFix bug in generating default protein index groups commit | commitdiff | tree | snapshot
2019-02-04 Mark AbrahamRemove SIMD support from group scheme commit | commitdiff | tree | snapshot
2019-02-04 Paul BauerFix segmentation fault in minimize commit | commitdiff | tree | snapshot
2019-02-04 Roland SchulzRename all source files from - to _ for consistency. commit | commitdiff | tree | snapshot
2019-02-04 Roland SchulzFix cmake policy warning commit | commitdiff | tree | snapshot
2019-02-04 Roland SchulzReplace compat::make_unique with std::make_unique commit | commitdiff | tree | snapshot
2019-02-04 Christian Blaumdspan - free begin and end functions commit | commitdiff | tree | snapshot
2019-02-04 Christian Blaumultidimensional array - bugfix swap commit | commitdiff | tree | snapshot
2019-02-02 Roland SchulzFix Intel compiler on Windows build commit | commitdiff | tree | snapshot
2019-02-02 Roland SchulzRenamed listed-forces to listed_forces commit | commitdiff | tree | snapshot
2019-02-02 Roland SchulzRemove reliance on inconsistent cmake feature testing commit | commitdiff | tree | snapshot
2019-02-02 Roland SchulzAdd recommendation of how to compile with MPI commit | commitdiff | tree | snapshot
2019-01-31 Roland SchulzFix clfft build commit | commitdiff | tree | snapshot
2019-01-30 Roland SchulzChange all C to C++ outside of TNG commit | commitdiff | tree | snapshot
2019-01-29 Roland SchulzAdd cmake C++14 feature check commit | commitdiff | tree | snapshot
2019-01-28 Roland SchulzResolve C++14 TODOs commit | commitdiff | tree | snapshot
2019-01-28 Mark AbrahamBump CUDA requirement to 9.0 commit | commitdiff | tree | snapshot
2019-01-26 David van der... Fixed some typos in comments. commit | commitdiff | tree | snapshot
2019-01-26 Roland SchulzFix clang warning commit | commitdiff | tree | snapshot
2019-01-26 Roland SchulzFix misc clang warnings commit | commitdiff | tree | snapshot
2019-01-25 Roland SchulzRequire C++14 commit | commitdiff | tree | snapshot
2019-01-25 Mark AbrahamRequire clang 3.6 commit | commitdiff | tree | snapshot
2019-01-25 Mark AbrahamFix post-submit build commit | commitdiff | tree | snapshot
2019-01-25 Mark AbrahamUnify regex implementation commit | commitdiff | tree | snapshot
2019-01-25 Berk HessFix LINCS bug from recent commit 211039fc commit | commitdiff | tree | snapshot
2019-01-25 Mark AbrahamBump required gcc compiler to 5.1 commit | commitdiff | tree | snapshot
2019-01-25 Mark AbrahamUse native cmake C++11 support commit | commitdiff | tree | snapshot
2019-01-24 Christian BlauRemove extra semicolons causing clang warnings. commit | commitdiff | tree | snapshot
2019-01-24 Paul BauerChange gcov to run on bs-mic commit | commitdiff | tree | snapshot
2019-01-23 Paul BauerFix bug introduced in 9c2eb03b commit | commitdiff | tree | snapshot
2019-01-23 Roland SchulzMerge release-2019 into master commit | commitdiff | tree | snapshot
2019-01-23 Roland SchulzMerge release-2018 into release-2019 commit | commitdiff | tree | snapshot
2019-01-23 Roland SchulzRename gmx Variant to Any commit | commitdiff | tree | snapshot
2019-01-23 Christian BlauMultidimensional data in canonical layout. commit | commitdiff | tree | snapshot
2019-01-23 Berk HessFix error with 2D/3D DLB commit | commitdiff | tree | snapshot
2019-01-23 Paul BauerIntroduce string comparison function commit | commitdiff | tree | snapshot
2019-01-23 Roland SchulzTurn SystemAtomIterator into proper iterator commit | commitdiff | tree | snapshot
2019-01-23 Paul BauerMove QMMM charge setting to grompp commit | commitdiff | tree | snapshot
2019-01-22 Berk HessAdd utility method to NbnxnPairlistGpu commit | commitdiff | tree | snapshot
2019-01-22 Berk HessRemove now usused GPU alloc/free functions commit | commitdiff | tree | snapshot
2019-01-22 Berk HessConvert NbnxnPairlistGpu to C++ commit | commitdiff | tree | snapshot
2019-01-22 Paul BauerPrepare for 2018.6 commit | commitdiff | tree | snapshot
2019-01-22 Mark AbrahamRemove init_md and improve init_em commit | commitdiff | tree | snapshot
2019-01-22 Paul BauerVersion 2018.5 commit | commitdiff | tree | snapshot
2019-01-22 Christoph JunghansgmxManageLmfit.cmake: enforce usage of 7.0 commit | commitdiff | tree | snapshot
2019-01-21 Mark AbrahamClean up initialize_lambdas commit | commitdiff | tree | snapshot
2019-01-21 Szilárd PállAdd CUDA CC 7.5 (Turing) support with nvcc commit | commitdiff | tree | snapshot
2019-01-21 Mark AbrahamFix trjconv -ndec commit | commitdiff | tree | snapshot
2019-01-21 Kevin BoydConvert gmx_update_t to C++ commit | commitdiff | tree | snapshot
2019-01-21 Berk HessConvert nbnxn_atomdata_t to C++ commit | commitdiff | tree | snapshot
2019-01-21 Paul BauerRefactor ResidueTypes commit | commitdiff | tree | snapshot
2019-01-18 Mark AbrahamDisabled internal clFFT when using MSVC with OpenCL commit | commitdiff | tree | snapshot
2019-01-18 Mark AbrahamImprove nvcc error reporting commit | commitdiff | tree | snapshot
2019-01-18 Kevin BoydAdd tests for gmx mindist commit | commitdiff | tree | snapshot
2019-01-18 Paul BauerChange one gmx_mtop_t atom loop to C++ commit | commitdiff | tree | snapshot
2019-01-18 Kevin BoydMove non-analysis tools from gmxana to gmxpreprocess commit | commitdiff | tree | snapshot
2019-01-18 Mark AbrahamRemove ctest section called simple commit | commitdiff | tree | snapshot
2019-01-18 M. Eric IrrgangRemove .travis.yml Travis-CI config file. commit | commitdiff | tree | snapshot
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