biod.pnpi.spb.ru / alexxy / gromacs.git / search
? search:
summary | shortlog | log | commit | commitdiff | tree
first ⋅ prev ⋅ next
Clean up grompp memory leaks in rotation and pull structures.
2020-05-24 Kevin BoydClean up grompp memory leaks in rotation and pull structures.
 commit | commitdiff | tree
2020-04-08 Kevin BoydFix line overrun in log file
 commit | commitdiff | tree
2019-09-19 Kevin BoydRemove note about cutoff-scheme from mdrun docs
 commit | commitdiff | tree
2019-09-16 Kevin BoydRemove group scheme from deprecated release notes
 commit | commitdiff | tree
2019-07-25 Kevin BoydAdd transpose operation to Matrix3x3
 commit | commitdiff | tree
2019-07-23 Kevin BoydModernize syntax of enable_if and traits to use _t...
commit | commitdiff | tree
2019-07-11 Kevin BoydUse const views in matrix determinant calculation
 commit | commitdiff | tree
2019-07-11 Kevin BoydAdd trace functionality to 3x3 matrices
 commit | commitdiff | tree
2019-07-11 Kevin BoydClean up gmx solvate
 commit | commitdiff | tree
2019-07-10 Kevin BoydAdd implicit conversion of mdspan-containing types...
commit | commitdiff | tree
2019-07-05 Kevin BoydChange error message when attempting to offload to...
commit | commitdiff | tree
2019-07-03 Kevin BoydUpdates to math/vec.h
 commit | commitdiff | tree
2019-07-03 Kevin BoydMove more tools out of gmxana
 commit | commitdiff | tree
2019-07-02 Kevin BoydAdd mdspan basic elementwise math
 commit | commitdiff | tree
2019-07-02 Kevin BoydAdd function for calculating 3x3 matrix determinant
 commit | commitdiff | tree
2019-07-02 Kevin BoydRemove references to ecutsGROUP
 commit | commitdiff | tree
2019-06-30 Kevin BoydRemove group scheme checks from runner
 commit | commitdiff | tree
2019-06-27 Kevin BoydUse random water removal in gmx solvate
 commit | commitdiff | tree
2019-02-09 Kevin BoydUse more vector in selection index groups structs
 commit | commitdiff | tree
2019-01-21 Kevin BoydConvert gmx_update_t to C++
 commit | commitdiff | tree
2019-01-18 Kevin BoydAdd tests for gmx mindist
 commit | commitdiff | tree
2019-01-18 Kevin BoydMove non-analysis tools from gmxana to gmxpreprocess
 commit | commitdiff | tree
2019-01-15 Kevin BoydFix tiny leak in pleasecite.cpp
 commit | commitdiff | tree
2019-01-14 Kevin BoydPartial conversion of gmx msd to std::vector
 commit | commitdiff | tree
2019-01-13 Kevin BoydFix small leak in constraints
 commit | commitdiff | tree
2019-01-13 Kevin BoydAdd grompp check for usage of "define" field in mdp
 commit | commitdiff | tree
2019-01-09 Kevin BoydClean up thread teardown
 commit | commitdiff | tree
2019-01-09 Kevin BoydClean up PME load balancing struct
 commit | commitdiff | tree
2019-01-07 Kevin BoydClean up ekind struct
 commit | commitdiff | tree
2019-01-06 Kevin BoydConvert t_vcm to C++, plugging a memory leak
 commit | commitdiff | tree
2019-01-02 Kevin BoydFree topology in non-DD simulations
 commit | commitdiff | tree
2018-12-31 Kevin BoydOnly report intra-sim communication with multiple ranks
 commit | commitdiff | tree
2018-12-31 Kevin BoydFree more memory in constraints cleanup
 commit | commitdiff | tree
2018-12-28 Kevin BoydChange t_extmass pointers to std::vector
 commit | commitdiff | tree
2018-12-28 Kevin BoydConvert gmx_stochd_t to C++
 commit | commitdiff | tree
2018-12-27 Kevin BoydUse std::vector for trotter_seq
 commit | commitdiff | tree
2018-12-27 Kevin BoydMake all thread-mpi threads release cr structure
 commit | commitdiff | tree
2018-12-27 Kevin BoydRemove unused function declarations in update.h
 commit | commitdiff | tree
2018-12-26 Kevin BoydFix small leaks in do_md cleanup
 commit | commitdiff | tree
2018-12-21 Kevin BoydFree global_stat at end of do_md
 commit | commitdiff | tree
2018-12-21 Kevin BoydCall wallcycle counter cleanup function
 commit | commitdiff | tree
2018-12-21 Kevin BoydFix leak in legacymdrunoptions
 commit | commitdiff | tree
2018-12-21 Kevin BoydFix small leak in forcerec
 commit | commitdiff | tree
2018-12-17 Kevin BoydFix memory leaks in ns cleanup
 commit | commitdiff | tree
2018-12-17 Kevin BoydFix memory leak at end of do_md
 commit | commitdiff | tree
2018-11-11 Kevin BoydAdd testing utility for in-place modification of input...
commit | commitdiff | tree
2018-10-29 Kevin BoydAdd constructor for t_corr in gmx_msd
 commit | commitdiff | tree
2018-09-27 Kevin BoydReduce preprocessor dependency in resourcedivision.cpp
 commit | commitdiff | tree
2018-09-17 Kevin BoydAdded basic tests for gmx msd
 commit | commitdiff | tree
2018-09-03 Kevin BoydCorrect info in Berendsen p-coupling mdp option
 commit | commitdiff | tree
2018-09-02 Kevin BoydFixed bug reporting initial DLB state
 commit | commitdiff | tree
2018-08-10 Kevin BoydAdded physical validation document to the dev manual.
 commit | commitdiff | tree
2018-08-06 Kevin BoydFix gmx solvate topology updating
 commit | commitdiff | tree
2018-08-04 Kevin BoydSupport hwloc 2.x.x
 commit | commitdiff | tree
2018-07-31 Kevin BoydReport up to date hwloc version information
 commit | commitdiff | tree
2018-07-29 Kevin BoydFixed syntax error in make_gromos_rtp.py
 commit | commitdiff | tree
2018-06-14 Kevin BoydChanged documentation on common errors during minimization
 commit | commitdiff | tree
2018-06-06 Kevin BoydAdded to PME on GPU information in mdrun performance
 commit | commitdiff | tree
2018-06-01 Kevin BoydCosmetic fixes to mdp documentation
 commit | commitdiff | tree
2018-05-23 Kevin BoydRemoved "XXX non-matching atom names" Martini statement.
 commit | commitdiff | tree
2018-05-22 Kevin BoydCosmetic documentation changes
 commit | commitdiff | tree
2018-05-22 Kevin BoydMinor fixes to mdrun performance documentation
 commit | commitdiff | tree
Local GROMACS mirror with custom stuff