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Add build for clang-format
2019-11-04 Paul BauerAdd build for clang-format
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2019-11-04 Paul BauerSplit up source code formatting scripts
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2019-11-01 Paul BauerSecond beta release of GROMACS 2020
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2019-11-01 Paul BauerPrepare for 2020 beta 2
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2019-11-01 Paul BauerAdd validation of tarball builds
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2019-10-31 Paul BauerUse type of explicit size in inmemoryserializer
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2019-10-29 Paul BauerMerge "Merge branch 'release-2019' into master"
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2019-10-29 Paul BauerMerge branch 'release-2019' into master
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2019-10-18 Paul BauerUse clang-tidy-8
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2019-10-15 Paul BauerFix bug in preprocessing
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2019-10-11 Paul BauerAdd helper to reuse generated TPR files in testing
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2019-10-10 Paul BauerBasic population of simulation workload
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2019-10-02 Paul BauerFix failures in clang-8 nightly build
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2019-10-02 Paul BauerPrepare for 2019.5
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2019-10-02 Paul BauerGROMACS version 2019.4
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2019-10-01 Paul BauerFix chain ID handling in make_ndx
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2019-09-26 Paul BauerRevert "Remove update flag again"
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2019-09-25 Paul BauerGROMACS 2020 first beta release
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2019-09-24 Paul BauerAdd test for noappend
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2019-09-24 Paul BauerMerge branch release-2019 into master
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2019-09-24 Paul BauerRead in TPR char buffer as vector
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2019-09-24 Paul BauerAdd release notes for modular simulator
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2019-09-23 Paul BauerFix issues when PME rank request becomes negative
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2019-09-23 Paul BauerChange MPI setup to communicate TPR as buffer
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2019-09-22 Paul BauerRemove update flag again
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2019-09-19 Paul BauerAdd basic interface to run update on GPU
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2019-09-19 Paul BauerSplit up do_tpx_body functions
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2019-09-18 Paul BauerRead TPR file body in buffer
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2019-09-18 Paul BauerFix MSVC warning
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2019-09-17 Paul BauerAdd deprecation note for 32 bit
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2019-09-16 Paul BauerFormatting fixes for reference manual
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2019-09-13 Paul BauerFix nightly failures
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2019-09-13 Paul BauerAdd list of unsupported functions in 2020
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2019-09-11 Paul BauerRemove -sub option from trjconv
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2019-09-11 Paul BauerAdd missing gmxapi requirements
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2019-09-11 Paul BauerBasic toolchain to facilitate GMXAPI build
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2019-09-11 Paul BauerDisable false positive warning in ICC and MSVC
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2019-09-10 Paul BauerAdd indication on how to enable ImageMagick convert
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2019-09-10 Paul BauerFix nightly build
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2019-09-10 Paul BauerAdd method to extract clusters from trajectory
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2019-09-09 Paul BauerAdd gmx convert-trj
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2019-08-28 Paul BauerFix return value
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2019-08-28 Paul BauerHave selections available for mdrun only
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2019-08-28 Paul BauerChange tolerance for normal mode tests
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2019-08-26 Paul BauerRemove section checking api level
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2019-08-26 Paul BauerRemove installed headers from CMake
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2019-08-23 Paul BauerRemoves checker for installed files
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2019-08-09 Paul BauerAdd conversion from legacy to modern matrix type
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2019-08-05 Paul BauerAdd replacements for pbc enumerations
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2019-08-05 Paul BauerAdd free function to convert matrix type
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2019-08-01 Paul BauerMerge release-2019 into master
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2019-07-30 Paul BauerAdd wrapper for outputadapter methods
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2019-07-24 Paul BauerFix doxygen in coordianteio files
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2019-07-24 Paul BauerAdd outputadapters (3/3)
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2019-07-18 Paul BauerExtend MDLogger levels
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2019-07-17 Paul BauerMove methods out from trjconv
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2019-07-09 Paul BauerFix link to acpype repository
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2019-07-09 Paul BauerFix postsubmit
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2019-07-08 Paul BauerFix issues found by clang-tidy 7
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2019-07-02 Paul BauerFix bug in gmx xpm2ps
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2019-06-20 Paul BauerUse ISerializer for TPR file IO
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2019-06-19 Paul BauerSplit tpr header reading reading from tpr body
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2019-06-18 Paul BauerFix gmx dump
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2019-06-18 Paul BauerExtend ISerializer functionality
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2019-06-14 Paul BauerPrepare for 2019.4
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2019-06-14 Paul BauerVersion 2019.3
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2019-06-14 Paul BauerMerge branch release-2018 into release-2019
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2019-06-12 Paul BauerFix qsort not being defined on Apple Clang
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2019-06-11 Paul BauerFix residue and molecule indexing in selections
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2019-06-11 Paul BauerExtend information for gmxcpp syntax error.
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2019-06-11 Paul BauerAdd check for too many grid points in hbond
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2019-05-29 Paul BauerVersion 2018.7
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2019-05-27 Paul BauerAdd more info for wrong line endings
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2019-05-24 Paul BauerFix PQR formatting
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2019-05-24 Paul BauerFix membrane embedding
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2019-05-23 Paul BauerAdd check for allocating too many interactions
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2019-05-13 Paul BauerPrepare for 2018.7
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2019-05-13 Paul BauerFix math formatting in reference manual
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2019-05-10 Paul BauerRemove more manual memory management
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2019-05-03 Paul BauerAdd outputadapters (2/3)
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2019-05-03 Paul BauerReplace t_grps with std::vector
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2019-05-02 Paul BauerAdd outputadapters (1/3)
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2019-05-02 Paul BauerAdd builder for TrajectoryFileWriter
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2019-05-02 Paul BauerFix FPE in do_steep
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2019-04-26 Paul BauerAdd C++ coordinate file writing method.
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2019-04-25 Paul BauerAdd Interface to change coordinate file info
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2019-04-18 Paul BauerUpdate clang-tidy to check for dangling references
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2019-04-17 Paul BauerEnable printing of known issues in commandline
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2019-04-17 Paul BauerCreate gmx::compat::string_view
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2019-04-16 Paul BauerRefactor t_pindex
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2019-04-16 Paul BauerPrepare for version 2019.3
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2019-04-16 Paul BauerVersion 2019.2
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2019-04-16 Paul BauerFix off-by-one error in gmx cluster
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2019-04-07 Paul BauerRemove t_topology from two preprocess tools
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2019-04-04 Paul BauerUpdate developer guide for changes to Gerrit
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2019-04-04 Paul BauerFix segmentation fault with simulated annealing
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2019-04-03 Paul BauerFix post submit
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2019-04-02 Paul BauerRefactor gpp_bond_atomtype
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2019-04-02 Paul BauerAdd std::string case insensitive compare
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2019-04-02 Paul BauerRefactor gmx_group_t to SimulationAtomGroups
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The ultimate molecular dynamics simulation package