biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ shortlog
commit
grep
author
committer
pickaxe
?
search:
re
summary
| shortlog |
log
|
commit
|
commitdiff
|
tree
first
⋅
prev
⋅
next
alexxy/gromacs.git
2015-06-17
Teemu Murtola
Improve logic for automatic selection names
commit
|
commitdiff
|
tree
|
snapshot
2015-06-17
Berk Hess
Refactored pull data structures
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Mark Abraham
Stop people installing into the build tree
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Erik Lindahl
Fix CUDA version info in NVML application clock warning
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Erik Lindahl
Add membrane embedding docs
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Berk Hess
Added missing DD cycle counting
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Erik Lindahl
Updated FFTW recommendations in install-guide.
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Mark Abraham
Move code for managing mdrun -cpi and -append
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Alexey Shvetsov
Merge branch 'master' into pygromacs
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Berk Hess
Automated the -gpu_id option
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Erik Lindahl
Fix segfault with timer reset and -nb cpu
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Erik Lindahl
Avoid warning about affinity on Blue Gene, reduce warnings
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Mark Abraham
Fix pairs_nb not recognized as part of moleculetype
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Mark Abraham
Add unit tests for ArrayRef
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Roland Schulz
Fix warning in uncrustify
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Roland Schulz
Fix consts in bonded and clincs
commit
|
commitdiff
|
tree
|
snapshot
2015-06-16
Teemu Murtola
Fix broken links from the old flow chart
commit
|
commitdiff
|
tree
|
snapshot
2015-06-15
Erik Lindahl
Fix OS X FFTW build failures introduced 86a772
commit
|
commitdiff
|
tree
|
snapshot
2015-06-15
Erik Lindahl
Fixed SIMD detection and flags common for IBM archs
commit
|
commitdiff
|
tree
|
snapshot
2015-06-15
Rossen Apostolov
Building own fftw now uses version 3.3.4
commit
|
commitdiff
|
tree
|
snapshot
2015-06-14
Berk Hess
Refactored mdrun resource division
commit
|
commitdiff
|
tree
|
snapshot
2015-06-13
Berk Hess
Hardware reporting now covers all nodes
commit
|
commitdiff
|
tree
|
snapshot
2015-06-12
Mark Abraham
Fix commandline test data
commit
|
commitdiff
|
tree
|
snapshot
2015-06-12
Teemu Murtola
Update help output
commit
|
commitdiff
|
tree
|
snapshot
2015-06-12
Magnus Lundborg
TNG version 1.7.6
commit
|
commitdiff
|
tree
|
snapshot
2015-06-12
Teemu Murtola
Improve uncrustify Jenkins builds
commit
|
commitdiff
|
tree
|
snapshot
2015-06-12
Teemu Murtola
Initial docs for Jenkins integration
commit
|
commitdiff
|
tree
|
snapshot
2015-06-12
Teemu Murtola
Initial build system documentation in dev guide
commit
|
commitdiff
|
tree
|
snapshot
2015-06-12
Teemu Murtola
Improve Jenkins docs build
commit
|
commitdiff
|
tree
|
snapshot
2015-06-12
Teemu Murtola
Extend source layout description in dev guide
commit
|
commitdiff
|
tree
|
snapshot
2015-06-11
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
commit
|
commitdiff
|
tree
|
snapshot
2015-06-11
Mark Abraham
Handle timing better in Jenkins
commit
|
commitdiff
|
tree
|
snapshot
2015-06-11
Teemu Murtola
Script for Jenkins documentation build
commit
|
commitdiff
|
tree
|
snapshot
2015-06-11
Mark Abraham
Clean up vsite interaction clean-up code
commit
|
commitdiff
|
tree
|
snapshot
2015-06-09
Mark Abraham
Document limitations of trjconv -dump
commit
|
commitdiff
|
tree
|
snapshot
2015-06-09
Teemu Murtola
Misc. improvements to docs build system
commit
|
commitdiff
|
tree
|
snapshot
2015-06-09
Mark Abraham
Merge branch release-4-6 into release-5-0
commit
|
commitdiff
|
tree
|
snapshot
2015-06-09
Teemu Murtola
Add description of relocatable binaries
commit
|
commitdiff
|
tree
|
snapshot
2015-06-09
Teemu Murtola
Resolve one TODO for command line help tests
commit
|
commitdiff
|
tree
|
snapshot
2015-06-09
Teemu Murtola
Improve user guide text for command line interface
commit
|
commitdiff
|
tree
|
snapshot
2015-06-08
Szilard Pall
add last two GROMACS paper citations
commit
|
commitdiff
|
tree
|
snapshot
2015-06-07
Erik Lindahl
Fix out-of-range integer literals for threefry
commit
|
commitdiff
|
tree
|
snapshot
2015-06-06
Szilard Pall
Optimize atomic accumulation in CUDA NB kernel
commit
|
commitdiff
|
tree
|
snapshot
2015-06-06
Roland Schulz
Use stat to check that paths are equivalent
commit
|
commitdiff
|
tree
|
snapshot
2015-06-05
Alexey Shvetsov
Merge branch 'master' into pygromacs
commit
|
commitdiff
|
tree
|
snapshot
2015-06-05
Roland Schulz
Merge release-5-0 into master
commit
|
commitdiff
|
tree
|
snapshot
2015-06-05
Roland Schulz
Reenable lincs/bonded SIMD for ICC on Windows
commit
|
commitdiff
|
tree
|
snapshot
2015-06-05
Mark Abraham
Remove gmx_simd_check_and_reset_overflow
commit
|
commitdiff
|
tree
|
snapshot
2015-06-05
Berk Hess
Don't use PME ranks with GPUs and -npme=-1
commit
|
commitdiff
|
tree
|
snapshot
2015-06-04
Mark Abraham
Fix naming from "Gromacs" to "GROMACS"
commit
|
commitdiff
|
tree
|
snapshot
2015-06-04
Erik Lindahl
More new quotes
commit
|
commitdiff
|
tree
|
snapshot
2015-06-04
Teemu Murtola
Fix potential FPE in selection tests
commit
|
commitdiff
|
tree
|
snapshot
2015-06-04
Teemu Murtola
Refactor rst parsing for console output
commit
|
commitdiff
|
tree
|
snapshot
2015-06-04
Teemu Murtola
Replace gromacs.7 man page with gmx.1
commit
|
commitdiff
|
tree
|
snapshot
2015-06-04
Teemu Murtola
Document current help formatting
commit
|
commitdiff
|
tree
|
snapshot
2015-06-04
Teemu Murtola
Basic support for titles within tool help
commit
|
commitdiff
|
tree
|
snapshot
2015-06-04
Teemu Murtola
Support rst tables in tool help texts
commit
|
commitdiff
|
tree
|
snapshot
2015-06-03
Alexey Shvetsov
Merge branch 'master' into pygromacs
commit
|
commitdiff
|
tree
|
snapshot
2015-06-03
Roland Schulz
Use stack buffer for LINCS&bonded gather/scatter
commit
|
commitdiff
|
tree
|
snapshot
2015-06-02
Rossen Apostolov
Converted random module to C++.
commit
|
commitdiff
|
tree
|
snapshot
2015-05-30
Roland Schulz
Work-around for ICC 15 on Phi
commit
|
commitdiff
|
tree
|
snapshot
2015-05-28
Teemu Murtola
Improve lists in user guide for selections
commit
|
commitdiff
|
tree
|
snapshot
2015-05-28
Teemu Murtola
Additional selection examples
commit
|
commitdiff
|
tree
|
snapshot
2015-05-27
Alexey Shvetsov
Merge branch 'master' into pygromacs
commit
|
commitdiff
|
tree
|
snapshot
2015-05-27
Berk Hess
Refactoring of PME load balancing
commit
|
commitdiff
|
tree
|
snapshot
2015-05-27
Mark Abraham
Fix warnings from GCC 5
commit
|
commitdiff
|
tree
|
snapshot
2015-05-27
Rossen Apostolov
Converted pulling code to C++.
commit
|
commitdiff
|
tree
|
snapshot
2015-05-26
Mark Abraham
Avoid possible floating-point exception
commit
|
commitdiff
|
tree
|
snapshot
2015-05-26
Roland Schulz
Don't set CFLAGS for Phi in toolchain
commit
|
commitdiff
|
tree
|
snapshot
2015-05-26
Mark Abraham
Convert ewald module to C++
commit
|
commitdiff
|
tree
|
snapshot
2015-05-26
Mark Abraham
Fix use of hard-coded temporary filename
commit
|
commitdiff
|
tree
|
snapshot
2015-05-25
Teemu Murtola
Overview docs for analysis nbsearch
commit
|
commitdiff
|
tree
|
snapshot
2015-05-24
Teemu Murtola
Include selection keyword details in user guide
commit
|
commitdiff
|
tree
|
snapshot
2015-05-23
Mark Abraham
Fix misuse of gmx_simd_check_and_reset_overflow
commit
|
commitdiff
|
tree
|
snapshot
2015-05-23
Berk Hess
Removed static from variables in gmx_lapack
commit
|
commitdiff
|
tree
|
snapshot
2015-05-22
Teemu Murtola
Allow any order for sections in 'gmx help -export'
commit
|
commitdiff
|
tree
|
snapshot
2015-05-22
Teemu Murtola
Base to get all 'gmx help' contents to user guide
commit
|
commitdiff
|
tree
|
snapshot
2015-05-22
Teemu Murtola
Merge release-5-0 into master
commit
|
commitdiff
|
tree
|
snapshot
2015-05-22
Teemu Murtola
Avoid crash with empty reference for 'same as' selection
commit
|
commitdiff
|
tree
|
snapshot
2015-05-22
Teemu Murtola
Add subsection depth to HelpWriterContext
commit
|
commitdiff
|
tree
|
snapshot
2015-05-22
Teemu Murtola
Add note about atom order in selections
commit
|
commitdiff
|
tree
|
snapshot
2015-05-21
Teemu Murtola
Restructure CommandLineModuleManager tests
commit
|
commitdiff
|
tree
|
snapshot
2015-05-21
Mark Abraham
Add integration test for empty domain
commit
|
commitdiff
|
tree
|
snapshot
2015-05-20
Teemu Murtola
Fix handling of real-valued 'to' selection ranges
commit
|
commitdiff
|
tree
|
snapshot
2015-05-20
Teemu Murtola
Fix dependencies for regression test custom target
commit
|
commitdiff
|
tree
|
snapshot
2015-05-20
Teemu Murtola
Some tests for 'gmx help -export rst'
commit
|
commitdiff
|
tree
|
snapshot
2015-05-19
Mark Abraham
Add checks for correct use of SIMD headers.
commit
|
commitdiff
|
tree
|
snapshot
2015-05-19
Mark Abraham
Refactor FFTW setup
commit
|
commitdiff
|
tree
|
snapshot
2015-05-18
Teemu Murtola
Merge "Merge branch origin/release-5-0"
commit
|
commitdiff
|
tree
|
snapshot
2015-05-17
Erik Lindahl
Added hacks for SIMD rvec/load store in lincs & bondeds
commit
|
commitdiff
|
tree
|
snapshot
2015-05-17
Teemu Murtola
Move a few defines to buildinfo.h
commit
|
commitdiff
|
tree
|
snapshot
2015-05-17
Mark Abraham
Merge branch origin/release-5-0
commit
|
commitdiff
|
tree
|
snapshot
2015-05-16
Berk Hess
LINCS thread tasks can now be independent
commit
|
commitdiff
|
tree
|
snapshot
2015-05-16
Mark Abraham
Suppress GCC5 warnings with internal Boost
commit
|
commitdiff
|
tree
|
snapshot
2015-05-16
Magnus Lundborg
TNG version 1.7.5
commit
|
commitdiff
|
tree
|
snapshot
2015-05-16
Alexey Shvetsov
Make bond-atomtypes case sensitive
commit
|
commitdiff
|
tree
|
snapshot
2015-05-15
Szilard Pall
Assert the size of non-bonded GPU work units
commit
|
commitdiff
|
tree
|
snapshot
2015-05-15
Alexey Shvetsov
Merge branch 'master' into pygromacs
commit
|
commitdiff
|
tree
|
snapshot
2015-05-14
Mark Abraham
Fix own-FFTW build
commit
|
commitdiff
|
tree
|
snapshot
2015-05-14
Szilard Pall
Merge release-4-6 into release-5-0
commit
|
commitdiff
|
tree
|
snapshot
next