biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Bumped TNG to latest version.
[alexxy/gromacs.git]
/
src
/
2014-02-12
Magnus Lundborg
Bumped TNG to latest version.
tree
|
commitdiff
2014-02-12
Mark Abraham
Refactored 'solvate' and 'insert-molecules'
tree
|
commitdiff
2014-02-12
Mark Abraham
Re-fix compiler warnings with scanner.cpp
tree
|
commitdiff
2014-02-11
Mark Abraham
Split genbox into 'solvate' and 'insert-molecules'
tree
|
commitdiff
2014-02-11
David van der Spoel
Fixed another vmdio issue.
tree
|
commitdiff
2014-02-11
Erik Lindahl
First part of commit for redesigned SIMD module - namec...
tree
|
commitdiff
2014-02-11
Magnus Lundborg
Added information about how to cite the TNG paper.
tree
|
commitdiff
2014-02-10
David van der Spoel
Moved conditional cmake code for vmdio.
tree
|
commitdiff
2014-02-09
Teemu Murtola
Shell completions through Options
tree
|
commitdiff
2014-02-09
Mark Abraham
Move orientation restraints checks inside init function
tree
|
commitdiff
2014-02-09
Teemu Murtola
Make 'gmx -h' invariant wrt. provided options
tree
|
commitdiff
2014-02-09
Teemu Murtola
Remove old help formatting code
tree
|
commitdiff
2014-02-09
Teemu Murtola
Make FileNameOption behave more like old filenm parser
tree
|
commitdiff
2014-02-09
Teemu Murtola
Implement synopsis for help output
tree
|
commitdiff
2014-02-09
Teemu Murtola
Refactor new help formatting implementation
tree
|
commitdiff
2014-02-08
Mark Abraham
Clean up .log file dump of inputrec
tree
|
commitdiff
2014-02-08
Teemu Murtola
Fix & update docs for GMX_TEST_OPTIONS
tree
|
commitdiff
2014-02-07
Mark Abraham
Initialize inputrec better in genbox
tree
|
commitdiff
2014-02-06
Michael Shirts
EE dhdl header should not specify one lambda
tree
|
commitdiff
2014-02-06
Roland Schulz
Use random seeds by default
tree
|
commitdiff
2014-02-05
Mark Abraham
Update description of genrestr
tree
|
commitdiff
2014-02-04
Mark Abraham
Use feature to explain that tpbconv has moved
tree
|
commitdiff
2014-02-03
Mark Abraham
Add hack to fix genbox
tree
|
commitdiff
2014-02-03
Mark Abraham
Clean up genbox and associated code
tree
|
commitdiff
2014-02-03
Teemu Murtola
Merge "Merge release-4-6 into master"
tree
|
commitdiff
2014-02-03
Mark Abraham
Improved wallcycle reporting
tree
|
commitdiff
2014-02-02
Roland Schulz
Merge release-4-6 into master
tree
|
commitdiff
2014-02-02
Teemu Murtola
Fix segfault in 'gmx -h'
tree
|
commitdiff
2014-02-02
Teemu Murtola
Get rid of src/programs/gmx/
tree
|
commitdiff
2014-02-02
Teemu Murtola
Simplify Options::setDescription() usage
tree
|
commitdiff
2014-02-01
Erik Lindahl
Added AVX2 detection to cmake and created CPU accelerat...
tree
|
commitdiff
2014-02-01
Teemu Murtola
Fix some issues reported by 'make depcheck doccheck'
tree
|
commitdiff
2014-02-01
Erik Lindahl
Use pseudo-random instead of random streams to intializ...
tree
|
commitdiff
2014-01-30
Roland Schulz
Add cmake option for Reference kernel
tree
|
commitdiff
2014-01-30
Mark Abraham
Minor improvements to ewald_LRcorrection
tree
|
commitdiff
2014-01-30
Berk Hess
Made reference SIMD work again
tree
|
commitdiff
2014-01-30
Teemu Murtola
Fix shell completions of ffMULT options
tree
|
commitdiff
2014-01-30
Teemu Murtola
Overview docs for wrapper binary implementation
tree
|
commitdiff
2014-01-30
Teemu Murtola
Overview docs for using Gromacs as a library
tree
|
commitdiff
2014-01-30
Teemu Murtola
Rename ProgramInfo to CommandLineProgramContext
tree
|
commitdiff
2014-01-30
Teemu Murtola
Refactor ProgramInfo use
tree
|
commitdiff
2014-01-30
Teemu Murtola
Move command listing to 'gmx help commands'
tree
|
commitdiff
2014-01-30
Roland Schulz
Allocate memory for MD5 on heap
tree
|
commitdiff
2014-01-29
Mark Abraham
Improved dependencies on maths includes
tree
|
commitdiff
2014-01-29
Mark Abraham
Keep clang Address Sanitizer happy
tree
|
commitdiff
2014-01-29
Teemu Murtola
Fixes to filename shell completions
tree
|
commitdiff
2014-01-29
Roland Schulz
Uncrustify all files
tree
|
commitdiff
2014-01-29
Teemu Murtola
Print common options to 'gmx -h'
tree
|
commitdiff
2014-01-29
Berk Hess
Automated Verlet rlist for NVE simulations
tree
|
commitdiff
2014-01-29
Teemu Murtola
Merge "Merge branch 'release-4-6'"
tree
|
commitdiff
2014-01-28
David van der Spoel
Moved random number generator code to separate dir.
tree
|
commitdiff
2014-01-28
Mark Abraham
Merge branch 'release-4-6'
tree
|
commitdiff
2014-01-28
Carsten Kutzner
Allow for "computational electrophysiology" simulations...
tree
|
commitdiff
2014-01-28
Christoph Junghans
cmake: added FFTW_URL to allow easy offline build
tree
|
commitdiff
2014-01-28
Rossen Apostolov
Bump own fftw build to version 3.3.3
tree
|
commitdiff
2014-01-28
Mark Abraham
Remove "gmx trjconv -app"
tree
|
commitdiff
2014-01-28
Mark Abraham
Remove unused fplog
tree
|
commitdiff
2014-01-28
Teemu Murtola
Shell completion export from the wrapper binary
tree
|
commitdiff
2014-01-28
Mark Abraham
Unify logic for timing counts
tree
|
commitdiff
2014-01-28
Szilárd Páll
clarified OpenMP-related things in mdrun help/man
tree
|
commitdiff
2014-01-28
Teemu Murtola
Extend version information output
tree
|
commitdiff
2014-01-27
Mark Abraham
Don't number a list manually
tree
|
commitdiff
2014-01-27
Teemu Murtola
Simplify ProgramInfo
tree
|
commitdiff
2014-01-23
Mark Abraham
Break dependency of fileio on tools
tree
|
commitdiff
2014-01-22
Christian Wennberg
Bug-fix in long-range correction for LJ-PME
tree
|
commitdiff
2014-01-22
Teemu Murtola
Use local ProgramInfo in CommandLineModuleManager
tree
|
commitdiff
2014-01-21
Mark Abraham
Move more preprocessing files into the module
tree
|
commitdiff
2014-01-21
Rossen Apostolov
Fixed wrong message when building own FFTW.
tree
|
commitdiff
2014-01-21
Roland Schulz
Fix race conditions
tree
|
commitdiff
2014-01-21
Mark Abraham
Ensure we don't #define constants before system headers
tree
|
commitdiff
2014-01-21
Mark Abraham
Remove hidden option to gmx dump
tree
|
commitdiff
2014-01-21
Teemu Murtola
Remove unused split.h
tree
|
commitdiff
2014-01-21
Teemu Murtola
Improve file name option help
tree
|
commitdiff
2014-01-20
Mark Abraham
Remove various outdated things from the repo
tree
|
commitdiff
2014-01-20
Mark Abraham
Rename 'gmx tpbconv' to 'gmx convert-tpr'
tree
|
commitdiff
2014-01-20
Teemu Murtola
Fix test reference data
tree
|
commitdiff
2014-01-20
Teemu Murtola
Rewrite help output from Options
tree
|
commitdiff
2014-01-20
Magnus Lundborg
Add TNG writing and reading support
tree
|
commitdiff
2014-01-19
Teemu Murtola
Fix installed headers
tree
|
commitdiff
2014-01-19
Teemu Murtola
Move md5.* to fileio/
tree
|
commitdiff
2014-01-19
Teemu Murtola
Move strdb.* to src/gromacs/fileio/
tree
|
commitdiff
2014-01-19
Mark Abraham
Clean up after gmxcpp
tree
|
commitdiff
2014-01-19
Mark Abraham
Move dump, check and tpbconv utilities
tree
|
commitdiff
2014-01-18
David van der Spoel
This patch moves the statistics library to its own...
tree
|
commitdiff
2014-01-17
Mark Abraham
Fix, simplify and test XTC writing
tree
|
commitdiff
2014-01-17
David van der Spoel
This patch moves preprocessing headers to gmxpreprocess
tree
|
commitdiff
2014-01-17
Roland Schulz
Define MPI_INT64_T if not defined by mpi
tree
|
commitdiff
2014-01-17
Mark Abraham
Clean up inputrec reading
tree
|
commitdiff
2014-01-16
Teemu Murtola
Fix build with GMX_BUILD_UNITTESTS=OFF
tree
|
commitdiff
2014-01-15
Teemu Murtola
Support for 64-bit int and real valued Options
tree
|
commitdiff
2014-01-15
Teemu Murtola
Remove unused PCA_KEEP_ARGS
tree
|
commitdiff
2014-01-15
Teemu Murtola
Unit tests for parse_common_args()
tree
|
commitdiff
2014-01-15
Roland Schulz
Add nbnxn tree force reduction
tree
|
commitdiff
2014-01-15
Teemu Murtola
Simplify C array handling in C++ code
tree
|
commitdiff
2014-01-15
David van der Spoel
This patch moves the nrama.[ch] to the gmxana dir.
tree
|
commitdiff
2014-01-15
Teemu Murtola
Reorganize shared unit test code
tree
|
commitdiff
2014-01-14
Teemu Murtola
Don't install links.dat
tree
|
commitdiff
2014-01-14
Teemu Murtola
Split CommandLineHelpModule into a separate file
tree
|
commitdiff
2014-01-14
Teemu Murtola
Fix line wrapping for long options
tree
|
commitdiff
2014-01-14
Mark Abraham
Remove useless trjcat -prec option
tree
|
commitdiff
next