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