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[alexxy/gromacs.git] / docs /
2019-02-08 Thomas Ullmannseparated .rst documentation of dihedral PCA and hydrog... tree | commitdiff
2019-02-07 Roland SchulzRevert size to be unsigned for ArrayRef tree | commitdiff
2019-02-04 Mark AbrahamRemove SIMD support from group scheme tree | commitdiff
2019-02-04 Roland SchulzRename all source files from - to _ for consistency. tree | commitdiff
2019-02-04 Roland SchulzReplace compat::make_unique with std::make_unique tree | commitdiff
2019-02-02 Roland SchulzRenamed listed-forces to listed_forces tree | commitdiff
2019-02-02 Roland SchulzAdd recommendation of how to compile with MPI tree | commitdiff
2019-01-28 Mark AbrahamBump CUDA requirement to 9.0 tree | commitdiff
2019-01-25 Roland SchulzRequire C++14 tree | commitdiff
2019-01-25 Mark AbrahamRequire clang 3.6 tree | commitdiff
2019-01-25 Mark AbrahamBump required gcc compiler to 5.1 tree | commitdiff
2019-01-25 Mark AbrahamUse native cmake C++11 support tree | commitdiff
2019-01-23 Roland SchulzMerge release-2019 into master tree | commitdiff
2019-01-23 Roland SchulzMerge release-2018 into release-2019 tree | commitdiff
2019-01-23 Berk HessFix error with 2D/3D DLB tree | commitdiff
2019-01-22 Paul BauerPrepare for 2018.6 tree | commitdiff
2019-01-22 Paul BauerVersion 2018.5 tree | commitdiff
2019-01-21 Szilárd PállAdd CUDA CC 7.5 (Turing) support with nvcc tree | commitdiff
2019-01-21 Mark AbrahamFix trjconv -ndec tree | commitdiff
2019-01-18 Mark AbrahamDisabled internal clFFT when using MSVC with OpenCL tree | commitdiff
2019-01-13 Kevin BoydAdd grompp check for usage of "define" field in mdp tree | commitdiff
2019-01-11 Mark AbrahamFix typo in release notes tree | commitdiff
2019-01-10 Mark AbrahamAdd more checks for division by zero tree | commitdiff
2019-01-08 Mark AbrahamFix trjconv -ndec tree | commitdiff
2019-01-08 Mark AbrahamSimplify reporting of GPU selection tree | commitdiff
2019-01-07 Paul BauerReuse Sphinx environment again tree | commitdiff
2019-01-07 Mark AbrahamFinish removing group-scheme all-vs-all support tree | commitdiff
2019-01-03 Berk HessFix segmentation fault in DD code tree | commitdiff
2019-01-02 Mark AbrahamMerge branch release-2019 tree | commitdiff
2018-12-31 Paul BauerPrepare for 2019.1 tree | commitdiff
2018-12-31 Paul BauerGROMACS 2019 release tree | commitdiff
2018-12-31 Szilárd PállFix release notes typo tree | commitdiff
2018-12-31 Szilárd PállAdd CUDA CC 7.5 (Turing) support with nvcc tree | commitdiff
2018-12-31 Paul BauerMerge branch release-2018 into release-2019 tree | commitdiff
2018-12-27 Paul BauerDocument OpenCL timer issue. tree | commitdiff
2018-12-20 Szilárd PállMerge "Merge branch release-2018 into release-2019... tree | commitdiff
2018-12-19 Jiannan LiuMissing factor of 2 in cos-acceleration tree | commitdiff
2018-12-19 Paul BauerMerge "Merge release-2019 branch into master" tree | commitdiff
2018-12-18 Szilárd PállMerge release-2019 branch into master tree | commitdiff
2018-12-17 Paul BauerCopy parallelisation info from old webpage tree | commitdiff
2018-12-17 Paul BauerMerge branch release-2018 into release-2019 tree | commitdiff
2018-12-14 Berk HessFix LINCS triangle constraining with OpenMP tree | commitdiff
2018-12-13 Szilárd PállDocument the FP exception in cuFFT 7.0 tree | commitdiff
2018-12-11 Berk HessDocument mdrun mdp option modification tree | commitdiff
2018-12-10 Paul BauerMake release notes html only tree | commitdiff
2018-12-10 Paul BauerChange toctree depth in PDF manual tree | commitdiff
2018-12-09 Mark AbrahamFix POWER8 and POWER9 build tree | commitdiff
2018-12-06 boristimUpdates to do_dssp tree | commitdiff
2018-12-05 Berk HessAdd update groups to parallelization docs tree | commitdiff
2018-12-05 Berk HessMake large PME grids work on GPU tree | commitdiff
2018-12-04 David van der SpoelRemoved gmx morph tree | commitdiff
2018-12-04 David van der SpoelRemoved gmx dyndom tree | commitdiff
2018-12-04 David van der SpoelRemoved gmx anadock tree | commitdiff
2018-11-30 Paul BauerRecreate flowchart figure tree | commitdiff
2018-11-29 Viacheslav BolnykhAdded reference-manual entry for MiMiC tree | commitdiff
2018-11-29 Paul BauerMake Imagemagick availability more visible tree | commitdiff
2018-11-29 Mark AbrahamRemoved erronous manual variable handling tree | commitdiff
2018-11-29 Paul BauerFix reference manual image sizes tree | commitdiff
2018-11-29 Paul BauerFix reference manual doc build tree | commitdiff
2018-11-27 Szilárd PállAdd tweaks to support ARMPL for FFTs tree | commitdiff
2018-11-22 Mark AbrahamMerge "Merge branch 'release-2019'" tree | commitdiff
2018-11-21 David van der SpoelMerge branch 'release-2019' tree | commitdiff
2018-11-21 Paul BauerMerge branch release-2018 into release-2019 tree | commitdiff
2018-11-20 Mark AbrahamMerge "Merge release-2019 into master" tree | commitdiff
2018-11-19 Mark AbrahamFix inefficient shell minimization tree | commitdiff
2018-11-16 Roland SchulzMerge release-2019 into master tree | commitdiff
2018-11-16 Berk Hessgrompp now checks tau-p>=2*tau-t with NH+PR tree | commitdiff
2018-11-15 M. Eric IrrgangNote GMX_ENABLE_CCACHE in build system docs. tree | commitdiff
2018-11-14 M. Eric IrrgangNote GMXAPI CMake variables and build targets. tree | commitdiff
2018-11-12 Paul BauerUpdate to prepare for 2018.5 point release tree | commitdiff
2018-11-12 Paul BauerVersion 2018.4 tree | commitdiff
2018-11-11 David van der SpoelFix entropy calculation in gmx anaeig tree | commitdiff
2018-11-09 David van der SpoelChange get_atom_index to allow multiple molecules. tree | commitdiff
2018-11-08 Paul BauerGive error when rerun with identical file names tree | commitdiff
2018-11-08 Paul BauerIssue fatal error if checkpoint does not suit the .tpr tree | commitdiff
2018-11-08 Paul BauerActually fix gmx helix segmentation fault tree | commitdiff
2018-11-05 Mark AbrahamMake PME OpenCL enabled only for AMD devices tree | commitdiff
2018-11-05 Paul BauerFix non ascii characters in manual references tree | commitdiff
2018-11-05 Paul BauerMake QM/MM code always compile tree | commitdiff
2018-11-05 Paul BauerGive more info when trying to build manual tree | commitdiff
2018-11-01 Mark AbrahamDisable ccache by default tree | commitdiff
2018-11-01 Paul BauerProperly define Bromine in amber forcefields tree | commitdiff
2018-10-31 Jonathan VincentAdd CUDA bonded kernels tree | commitdiff
2018-10-31 Berk HessWork around expanded ensemble issues tree | commitdiff
2018-10-31 Berk HessCorrect VV integrator nstcalcenergy use tree | commitdiff
2018-10-31 Berk HessCorrect grompp nstexpanded/nstcalcenergy check tree | commitdiff
2018-10-31 Paul BauerAdd equation numbers in reference manual tree | commitdiff
2018-10-30 Paul BauerChange Table of contents depth tree | commitdiff
2018-10-30 Mark AbrahamRename to GMX_OPENCL_NB_CLUSTER_SIZE tree | commitdiff
2018-10-30 Mark AbrahamUpdates to docs for OpenCL support tree | commitdiff
2018-10-26 Mark AbrahamMerge "Merge branch release-2018 into release-2019... tree | commitdiff
2018-10-26 Mark AbrahamMerge branch release-2018 into release-2019 tree | commitdiff
2018-10-26 Paul BauerFix link formatting in developer manual tree | commitdiff
2018-10-26 Berk HessAdd missing mass term to deltaH tree | commitdiff
2018-10-26 Paul BauerUpdate user documentation overview tree | commitdiff
2018-10-25 Paul BauerChange doc build without image conversion tree | commitdiff
2018-10-23 Berk HessAdd missing constraint term to deltaH tree | commitdiff
2018-10-23 Joe JordanProperly attribute work and use correct dates for binar... tree | commitdiff
2018-10-22 Paul BauerPrepare master for 2020 tree | commitdiff
2018-10-22 Paul BauerGROMACS 2019 first beta release tree | commitdiff
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