biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first
⋅
prev
⋅
next
Version 5.0.2
2014-02-04
Mark Abraham
Use feature to explain that tpbconv has moved
commit
|
commitdiff
|
tree
2014-02-03
Mark Abraham
Add hack to fix genbox
commit
|
commitdiff
|
tree
2014-02-03
Mark Abraham
Clean up genbox and associated code
commit
|
commitdiff
|
tree
2014-02-03
Mark Abraham
Improved wallcycle reporting
commit
|
commitdiff
|
tree
2014-01-30
Mark Abraham
Minor improvements to ewald_LRcorrection
commit
|
commitdiff
|
tree
2014-01-29
Mark Abraham
Improved dependencies on maths includes
commit
|
commitdiff
|
tree
2014-01-29
Mark Abraham
Keep clang Address Sanitizer happy
commit
|
commitdiff
|
tree
2014-01-28
Mark Abraham
Merge branch 'release-4-6'
commit
|
commitdiff
|
tree
2014-01-28
Mark Abraham
Remove "gmx trjconv -app"
commit
|
commitdiff
|
tree
2014-01-28
Mark Abraham
Remove unused fplog
commit
|
commitdiff
|
tree
2014-01-28
Mark Abraham
Unify logic for timing counts
commit
|
commitdiff
|
tree
2014-01-27
Mark Abraham
Don't number a list manually
commit
|
commitdiff
|
tree
2014-01-23
Mark Abraham
Break dependency of fileio on tools
commit
|
commitdiff
|
tree
2014-01-22
Mark Abraham
Update libxml2 CMake detection
commit
|
commitdiff
|
tree
2014-01-21
Mark Abraham
Move more preprocessing files into the module
commit
|
commitdiff
|
tree
2014-01-21
Mark Abraham
Ensure we don't #define constants before system headers
commit
|
commitdiff
|
tree
2014-01-21
Mark Abraham
Remove hidden option to gmx dump
commit
|
commitdiff
|
tree
2014-01-20
Mark Abraham
Remove various outdated things from the repo
commit
|
commitdiff
|
tree
2014-01-20
Mark Abraham
Rename 'gmx tpbconv' to 'gmx convert-tpr'
commit
|
commitdiff
|
tree
2014-01-20
Mark Abraham
Fix .gitignore of some files
commit
|
commitdiff
|
tree
2014-01-19
Mark Abraham
Clean up after gmxcpp
commit
|
commitdiff
|
tree
2014-01-19
Mark Abraham
Move dump, check and tpbconv utilities
commit
|
commitdiff
|
tree
2014-01-17
Mark Abraham
Fix, simplify and test XTC writing
commit
|
commitdiff
|
tree
2014-01-17
Mark Abraham
Clean up inputrec reading
commit
|
commitdiff
|
tree
2014-01-14
Mark Abraham
Stop doing cppcheck on src/external
commit
|
commitdiff
|
tree
2014-01-14
Mark Abraham
Remove useless trjcat -prec option
commit
|
commitdiff
|
tree
2014-01-13
Mark Abraham
Fix mdrun integration tests
commit
|
commitdiff
|
tree
2014-01-08
Mark Abraham
Remove unreachable fatal error
commit
|
commitdiff
|
tree
2014-01-08
Mark Abraham
Remove unused debug code
commit
|
commitdiff
|
tree
2014-01-08
Mark Abraham
Add helpful note about changed default behaviour
commit
|
commitdiff
|
tree
2014-01-08
Mark Abraham
Create math module
commit
|
commitdiff
|
tree
2013-12-19
Mark Abraham
Fix non-critical typo in #ifdef GMX_OMPEN_MP
commit
|
commitdiff
|
tree
2013-12-05
Mark Abraham
Version bump after 5.0-beta1 release
commit
|
commitdiff
|
tree
2013-12-05
Mark Abraham
Fix administrivia
commit
|
commitdiff
|
tree
2013-12-02
Mark Abraham
Version bump after 4.6.5 release
commit
|
commitdiff
|
tree
2013-12-02
Mark Abraham
Version bumps before release
commit
|
commitdiff
|
tree
2013-12-02
Mark Abraham
Merge branch 'release-4-6'
commit
|
commitdiff
|
tree
2013-12-01
Mark Abraham
Fix scope and naming of some variables
commit
|
commitdiff
|
tree
2013-12-01
Mark Abraham
Turn on -Wunused-parameter where applicable
commit
|
commitdiff
|
tree
2013-11-30
Mark Abraham
Add machinery for integration tests
commit
|
commitdiff
|
tree
2013-11-28
Mark Abraham
Remove IMD manual section
commit
|
commitdiff
|
tree
2013-11-27
Mark Abraham
Fix strange character in manual
commit
|
commitdiff
|
tree
2013-11-26
Mark Abraham
Moved gromos87 writing code into fileio module
commit
|
commitdiff
|
tree
2013-11-26
Mark Abraham
Add license for Sun XDR routines
commit
|
commitdiff
|
tree
2013-11-19
Mark Abraham
Fix incorrect variable name in documentation
commit
|
commitdiff
|
tree
2013-11-18
Mark Abraham
Bump CMake requirement to 2.8.8
commit
|
commitdiff
|
tree
2013-11-15
Mark Abraham
Merge branch release-4-6
commit
|
commitdiff
|
tree
2013-11-13
Mark Abraham
Bump version after 4.6.4 release
commit
|
commitdiff
|
tree
2013-11-13
Mark Abraham
Fix minor things before release
commit
|
commitdiff
|
tree
2013-11-08
Mark Abraham
Fix malformed CMake
commit
|
commitdiff
|
tree
2013-11-01
Mark Abraham
Added gmx_omp_nthreads_set for use in testing
commit
|
commitdiff
|
tree
2013-10-31
Mark Abraham
Rename GMX_IS_* to GMX_TARGET_*
commit
|
commitdiff
|
tree
2013-10-30
Mark Abraham
Silence warnings about scanner.cpp
commit
|
commitdiff
|
tree
2013-10-30
Mark Abraham
Merge "Merge release-4-6 into master"
commit
|
commitdiff
|
tree
2013-10-29
Mark Abraham
Renamed and removed last references to GMX_CRAY_XT3
commit
|
commitdiff
|
tree
2013-10-28
Mark Abraham
Create fileio module
commit
|
commitdiff
|
tree
2013-10-26
Mark Abraham
Encapsulate gmx_wallclock_accounting_t into new timing...
commit
|
commitdiff
|
tree
2013-10-26
Mark Abraham
Cleaned up run time measurement
commit
|
commitdiff
|
tree
2013-10-26
Mark Abraham
Added documentation for gmx_runtime_t struct
commit
|
commitdiff
|
tree
2013-10-23
Mark Abraham
Merge branch release-4-6 into master
commit
|
commitdiff
|
tree
2013-10-20
Mark Abraham
Remove html target from and excessive PDFs for manual
commit
|
commitdiff
|
tree
2013-10-18
Mark Abraham
BlueGene/Q Verlet cut-off scheme kernels
commit
|
commitdiff
|
tree
2013-10-18
Mark Abraham
Call atomics from TestAtomic.c
commit
|
commitdiff
|
tree
2013-10-17
Mark Abraham
Move mdrun trajectory writing into wrapper function
commit
|
commitdiff
|
tree
2013-10-17
Mark Abraham
Fix typo in g_membed documentation
commit
|
commitdiff
|
tree
2013-10-16
Mark Abraham
Move manual repo into code repo, and make it build
commit
|
commitdiff
|
tree
2013-10-10
Mark Abraham
Introduced MPI initialization counter
commit
|
commitdiff
|
tree
2013-10-08
Mark Abraham
Remove some unused variables from MD loop
commit
|
commitdiff
|
tree
2013-10-06
Mark Abraham
Fixed triggering of CPU acceleration-scheme detection
commit
|
commitdiff
|
tree
2013-10-04
Mark Abraham
Further consolidation of commrec initialization
commit
|
commitdiff
|
tree
2013-10-04
Mark Abraham
More consolidation of MPI initialization
commit
|
commitdiff
|
tree
2013-10-01
Mark Abraham
Broke some useless dependencies
commit
|
commitdiff
|
tree
2013-10-01
Mark Abraham
Split MPI initialization from t_commrec construction
commit
|
commitdiff
|
tree
2013-10-01
Mark Abraham
Silence clang warnings
commit
|
commitdiff
|
tree
2013-09-26
Mark Abraham
Un-duplicate gmx_gettime code
commit
|
commitdiff
|
tree
2013-09-26
Mark Abraham
Merge branch release-4-6
commit
|
commitdiff
|
tree
2013-09-26
Mark Abraham
Remove mdrun -ionize feature
commit
|
commitdiff
|
tree
2013-09-26
Mark Abraham
Remove General Coupling Theory stuff
commit
|
commitdiff
|
tree
2013-09-20
Mark Abraham
Remove repeat sfree(state->nosehoover_xi)
commit
|
commitdiff
|
tree
2013-09-20
Mark Abraham
Merge branch 'release-4-6'
commit
|
commitdiff
|
tree
2013-09-20
Mark Abraham
Described another way g_tune_pme might reasonably fail
commit
|
commitdiff
|
tree
2013-09-20
Mark Abraham
Fix total time measurement with separate PME nodes
commit
|
commitdiff
|
tree
2013-09-19
Mark Abraham
Fixed reading history_t from checkpoint
commit
|
commitdiff
|
tree
2013-09-19
Mark Abraham
Fixed g_tune_pme assumption that MPI is available
commit
|
commitdiff
|
tree
2013-09-18
Mark Abraham
Remove forcefield-scan feature
commit
|
commitdiff
|
tree
2013-08-25
Mark Abraham
Split up Verlet SIMD kernels for faster compilation
commit
|
commitdiff
|
tree
2013-08-25
Mark Abraham
Fix detection and suggestion in gmx_cpuid for IBM QPX
commit
|
commitdiff
|
tree
2013-08-25
Mark Abraham
Fixes for Bluegene/Q
commit
|
commitdiff
|
tree
2013-08-25
Mark Abraham
Consolidated NBNxN SIMD kernel utility routines
commit
|
commitdiff
|
tree
2013-08-25
Mark Abraham
Fix minor wallcycle output issues
commit
|
commitdiff
|
tree
2013-08-25
Mark Abraham
Fixed GMX_DD_DUMP_GRID
commit
|
commitdiff
|
tree
2013-08-20
Mark Abraham
Remove OpenMM
commit
|
commitdiff
|
tree
2013-08-15
Mark Abraham
Productive afternoon of meetings... more quotes!
commit
|
commitdiff
|
tree
2013-08-09
Mark Abraham
Reordered FFTW fatal error; avoids using unset variables
commit
|
commitdiff
|
tree
2013-08-05
Mark Abraham
Fixed reference SIMD code to work with MSVC
commit
|
commitdiff
|
tree
2013-08-01
Mark Abraham
Refactored preparation of buffer for NBNxN table loads
commit
|
commitdiff
|
tree
2013-08-01
Mark Abraham
Fixed example code function name
commit
|
commitdiff
|
tree
2013-07-30
Mark Abraham
Removed unused variables
commit
|
commitdiff
|
tree
2013-07-26
Mark Abraham
Merge branch release-4-6 into master
commit
|
commitdiff
|
tree
2013-07-25
Mark Abraham
Clarified logic in g_wham
commit
|
commitdiff
|
tree
next