Fix UB vector usage
[alexxy/gromacs.git] / docs /
2019-03-19 Mark AbrahamPrevented FFTW build errors with clang and AVX-512
2019-03-12 Paul BauerFix formatting error in user guide reference
2019-03-11 Berk HessAdd grompp warning with use of GROMOS FF
2019-03-06 Paul BauerAdd error when manual cannot be built
2019-02-20 Paul BauerFix release notes formatting
2019-02-19 Paul BauerPrepare for 2019.2
2019-02-15 Paul BauerVersion 2019.1
2019-02-15 Paul BauerFix tune_pme
2019-02-15 Berk HessFix mass Delta H double counting
2019-02-15 Szilárd PállExtend performance considerations on bonded offload
2019-02-14 Mark AbrahamFix use of selections referring to index groups
2019-02-13 Mark AbrahamImproved electric-field docs
2019-02-09 Berk HessDisallow rerun with perturbed masses or constraints
2019-02-07 Szilárd PállRequire a 64-bit platform for OpenCL
2019-02-06 Berk HessFix segfault with EM, DD and group scheme
2019-02-01 Berk HessFix incorrect LJ repulsion force switching on GPUs
2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019
2019-01-30 Mark AbrahamFix release notes issue links
2019-01-30 Mark AbrahamFix release notes issue links
2019-01-23 Roland SchulzMerge release-2018 into release-2019
2019-01-23 Berk HessFix error with 2D/3D DLB
2019-01-22 Paul BauerPrepare for 2018.6
2019-01-22 Paul BauerVersion 2018.5
2019-01-21 Szilárd PállAdd CUDA CC 7.5 (Turing) support with nvcc
2019-01-21 Mark AbrahamFix trjconv -ndec
2019-01-18 Mark AbrahamDisabled internal clFFT when using MSVC with OpenCL
2019-01-11 Mark AbrahamFix typo in release notes
2019-01-10 Mark AbrahamAdd more checks for division by zero
2019-01-08 Mark AbrahamFix trjconv -ndec
2019-01-08 Mark AbrahamSimplify reporting of GPU selection
2019-01-03 Berk HessFix segmentation fault in DD code
2018-12-31 Paul BauerPrepare for 2019.1
2018-12-31 Paul BauerGROMACS 2019 release
2018-12-31 Szilárd PállFix release notes typo
2018-12-31 Szilárd PállAdd CUDA CC 7.5 (Turing) support with nvcc
2018-12-31 Paul BauerMerge branch release-2018 into release-2019
2018-12-27 Paul BauerDocument OpenCL timer issue.
2018-12-20 Szilárd PállMerge "Merge branch release-2018 into release-2019...
2018-12-19 Jiannan LiuMissing factor of 2 in cos-acceleration
2018-12-17 Paul BauerCopy parallelisation info from old webpage
2018-12-17 Paul BauerMerge branch release-2018 into release-2019
2018-12-14 Berk HessFix LINCS triangle constraining with OpenMP
2018-12-13 Szilárd PállDocument the FP exception in cuFFT 7.0
2018-12-11 Berk HessDocument mdrun mdp option modification
2018-12-10 Paul BauerMake release notes html only
2018-12-10 Paul BauerChange toctree depth in PDF manual
2018-12-09 Mark AbrahamFix POWER8 and POWER9 build
2018-12-06 boristimUpdates to do_dssp
2018-12-05 Berk HessAdd update groups to parallelization docs
2018-12-05 Berk HessMake large PME grids work on GPU
2018-11-30 Paul BauerRecreate flowchart figure
2018-11-29 Viacheslav BolnykhAdded reference-manual entry for MiMiC
2018-11-29 Paul BauerMake Imagemagick availability more visible
2018-11-29 Mark AbrahamRemoved erronous manual variable handling
2018-11-29 Paul BauerFix reference manual image sizes
2018-11-29 Paul BauerFix reference manual doc build
2018-11-27 Szilárd PállAdd tweaks to support ARMPL for FFTs
2018-11-21 Paul BauerMerge branch release-2018 into release-2019
2018-11-19 Mark AbrahamFix inefficient shell minimization
2018-11-16 Berk Hessgrompp now checks tau-p>=2*tau-t with NH+PR
2018-11-15 M. Eric IrrgangNote GMX_ENABLE_CCACHE in build system docs.
2018-11-14 M. Eric IrrgangNote GMXAPI CMake variables and build targets.
2018-11-12 Paul BauerUpdate to prepare for 2018.5 point release
2018-11-12 Paul BauerVersion 2018.4
2018-11-11 David van der SpoelFix entropy calculation in gmx anaeig
2018-11-09 David van der SpoelChange get_atom_index to allow multiple molecules.
2018-11-08 Paul BauerGive error when rerun with identical file names
2018-11-08 Paul BauerIssue fatal error if checkpoint does not suit the .tpr
2018-11-08 Paul BauerActually fix gmx helix segmentation fault
2018-11-05 Mark AbrahamMake PME OpenCL enabled only for AMD devices
2018-11-05 Paul BauerFix non ascii characters in manual references
2018-11-05 Paul BauerMake QM/MM code always compile
2018-11-05 Paul BauerGive more info when trying to build manual
2018-11-01 Mark AbrahamDisable ccache by default
2018-11-01 Paul BauerProperly define Bromine in amber forcefields
2018-10-31 Jonathan VincentAdd CUDA bonded kernels
2018-10-31 Berk HessWork around expanded ensemble issues
2018-10-31 Berk HessCorrect VV integrator nstcalcenergy use
2018-10-31 Berk HessCorrect grompp nstexpanded/nstcalcenergy check
2018-10-31 Paul BauerAdd equation numbers in reference manual
2018-10-30 Paul BauerChange Table of contents depth
2018-10-30 Mark AbrahamRename to GMX_OPENCL_NB_CLUSTER_SIZE
2018-10-30 Mark AbrahamUpdates to docs for OpenCL support
2018-10-26 Mark AbrahamMerge "Merge branch release-2018 into release-2019...
2018-10-26 Mark AbrahamMerge branch release-2018 into release-2019
2018-10-26 Paul BauerFix link formatting in developer manual
2018-10-26 Berk HessAdd missing mass term to deltaH
2018-10-26 Paul BauerUpdate user documentation overview
2018-10-25 Paul BauerChange doc build without image conversion
2018-10-23 Berk HessAdd missing constraint term to deltaH
2018-10-23 Joe JordanProperly attribute work and use correct dates for binar...
2018-10-22 Paul BauerGROMACS 2019 first beta release
2018-10-18 Paul BauerRemove unused files in docs/manual
2018-10-18 Paul BauerFix segmentation fault in gmx helix
2018-10-18 Berk HessAdd env.var. to disable update groups
2018-10-16 Mark AbrahamEliminated t_ifunc from t_interaction_function
2018-10-16 Mark AbrahamRemoved support for NVIDIA CC 2.x devices (codename...
2018-10-15 M. Eric IrrgangRelease notes for restraint module and gmxapi.
2018-10-15 Mark AbrahamCreate ExclusionBlocks
2018-10-15 Magnus LundborgEnable output of average pull force and positions.
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