biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Update mdrun Doxygen
2015-04-08
Mark Abraham
Update mdrun Doxygen
commit
|
commitdiff
|
tree
2015-04-08
Mark Abraham
Made pme_work_t opaque
commit
|
commitdiff
|
tree
2015-03-30
Erik Lindahl
Quote from Szilard's talk at GTC2015
commit
|
commitdiff
|
tree
2015-03-19
Mark Abraham
Extend Force sub-counters
commit
|
commitdiff
|
tree
2015-03-04
Berk Hess
Allow pull groups of 1 atom with mass 0
commit
|
commitdiff
|
tree
2015-03-03
Roland Schulz
nbnxn utils performance improvement for Phi
commit
|
commitdiff
|
tree
2015-03-03
Mark Abraham
Move mdrun signalling code
commit
|
commitdiff
|
tree
2015-03-02
Mark Abraham
Run replica-exchange tests with MPI enabled
commit
|
commitdiff
|
tree
2015-02-25
Mark Abraham
New and reorganized documentation
commit
|
commitdiff
|
tree
2015-02-24
Erik Lindahl
Added AVX-512ER SIMD support
commit
|
commitdiff
|
tree
2015-02-13
Mark Abraham
Fix mdrun-only build
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Replace more [BR] with rst bullet lists
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Move flow chart from old-html to Sphinx
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Make (most) HTML links to file formats work again
commit
|
commitdiff
|
tree
2015-02-13
Teemu Murtola
Convert file format descriptions to rst
commit
|
commitdiff
|
tree
2015-02-04
Mark Abraham
Implement user guide
commit
|
commitdiff
|
tree
2015-02-02
Mark Abraham
Merge branch release-5-0
commit
|
commitdiff
|
tree
2015-02-02
Mark Abraham
Avoid near-silent generation of zero energies
commit
|
commitdiff
|
tree
2015-01-23
John Baxter
Cleans up steepest descent initial potential hack
commit
|
commitdiff
|
tree
2015-01-23
Mark Abraham
Update FindCUDA work-around
commit
|
commitdiff
|
tree
2015-01-22
John Baxter
Changed "struct swap" to "struct t_swap"
commit
|
commitdiff
|
tree
2015-01-20
Mark Abraham
Removed gmx_header_config.h
commit
|
commitdiff
|
tree
2015-01-15
Mark Abraham
Merge branch release-5-0
commit
|
commitdiff
|
tree
2015-01-08
Mark Abraham
Handle ivec* correctly in DD error message
commit
|
commitdiff
|
tree
2015-01-05
Teemu Murtola
Support subset of rvec array as input for analysis...
commit
|
commitdiff
|
tree
2014-12-15
Mark Abraham
Merge branch 'release-5-0'
commit
|
commitdiff
|
tree
2014-12-15
Mark Abraham
Removing iteration + constraints framework
commit
|
commitdiff
|
tree
2014-12-15
Mark Abraham
Version bumps after new release
commit
|
commitdiff
|
tree
2014-12-15
Mark Abraham
Version 5.0.4
commit
|
commitdiff
|
tree
2014-12-15
Mark Abraham
Fix constraints checks in grompp
commit
|
commitdiff
|
tree
2014-12-11
Mark Abraham
Merge release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-12-09
Mark Abraham
Version bumps after new release
commit
|
commitdiff
|
tree
2014-12-09
Mark Abraham
Version 5.0.3
commit
|
commitdiff
|
tree
2014-12-05
Mark Abraham
Move threading support into listed-forces module
commit
|
commitdiff
|
tree
2014-11-27
Mark Abraham
Convert remaining callers of do_force to C++
commit
|
commitdiff
|
tree
2014-11-27
Mark Abraham
Merge branch release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-11-26
Roland Schulz
Merge release-5-0 into master
commit
|
commitdiff
|
tree
2014-11-24
Berk Hess
Avoid NaN in rlist buffer calculation
commit
|
commitdiff
|
tree
2014-11-17
Szilárd Páll
Allow increasing CUDA thread block size
commit
|
commitdiff
|
tree
2014-10-17
Mark Abraham
Extend gmock to turn off socket listener
commit
|
commitdiff
|
tree
2014-10-17
Mark Abraham
Move code to what will become the ewald module
commit
|
commitdiff
|
tree
2014-10-15
Mark Abraham
Converted many integrator-loop files to C++
commit
|
commitdiff
|
tree
2014-10-13
Mark Abraham
Merge release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-10-09
Mark Abraham
Fixed minor issue with NPT conserved energy
commit
|
commitdiff
|
tree
2014-10-09
Mark Abraham
Clean up cshake() and resolve old issues
commit
|
commitdiff
|
tree
2014-10-06
Mark Abraham
Fix trjconv -split not closing files
commit
|
commitdiff
|
tree
2014-10-03
Mark Abraham
Unite code for handling listed pairs
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
Merge release-5-0 into master
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
Version bumps after new release
commit
|
commitdiff
|
tree
2014-10-01
Mark Abraham
Version 5.0.2
commit
|
commitdiff
|
tree
2014-10-01
Carsten Kutzner
Allow gmx tune_pme to skip the check for command-line...
commit
|
commitdiff
|
tree
2014-09-23
Teemu Murtola
Reorganize CPack management
commit
|
commitdiff
|
tree
2014-09-18
Erik Lindahl
Add Power/PowerPC VMX SIMD support
commit
|
commitdiff
|
tree
2014-09-18
Mark Abraham
Merge branch release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-09-13
Mark Abraham
Teach git that some files are binary
commit
|
commitdiff
|
tree
2014-09-11
Mark Abraham
Remove documentation references to optimize-fft
commit
|
commitdiff
|
tree
2014-09-11
Mark Abraham
Convert domdec code to C++
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Move _GNU_SOURCE to gmxpre.h
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Sort includes outside src/gromacs
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Sort all includes in src/gromacs
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Use absolute include paths in nbnxn kernels
commit
|
commitdiff
|
tree
2014-09-11
Teemu Murtola
Manually sort some includes in src/gromacs
commit
|
commitdiff
|
tree
2014-09-08
Erik Lindahl
Add 64-bit AArch64 asimd SIMD support
commit
|
commitdiff
|
tree
2014-09-08
Erik Lindahl
Add 32-bit ARM Neon SIMD support
commit
|
commitdiff
|
tree
2014-09-05
Mark Abraham
Version bumps after new release
commit
|
commitdiff
|
tree
2014-09-05
Mark Abraham
Version 5.0.1
commit
|
commitdiff
|
tree
2014-09-04
Mark Abraham
Created bonded module
commit
|
commitdiff
|
tree
2014-09-01
Mark Abraham
Merge branch release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-08-29
Mark Abraham
Version bump after 4.6.7
commit
|
commitdiff
|
tree
2014-08-23
Teemu Murtola
Backport of 'Remove unused figures from share/html/'
commit
|
commitdiff
|
tree
2014-08-17
Mark Abraham
Remove mdrun -seppot
commit
|
commitdiff
|
tree
2014-07-07
Mark Abraham
Version bump after 4.6.6 release
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Version bump for 5.0
commit
|
commitdiff
|
tree
2014-06-29
Mark Abraham
Add forgotten licenses to COPYING
commit
|
commitdiff
|
tree
2014-06-28
Mark Abraham
Merge branch 'release-4-6' into release-5-0
commit
|
commitdiff
|
tree
2014-06-26
Roland Schulz
Merge release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-06-24
Berk Hess
Fixed the sign of mass perturbed contribution
commit
|
commitdiff
|
tree
2014-06-17
Erik Lindahl
Disabled replica exchange when T not in order
commit
|
commitdiff
|
tree
2014-06-05
Berk Hess
Fixed shift and switch modifiers, particularly for...
commit
|
commitdiff
|
tree
2014-06-02
Mark Abraham
Converted md.c to C++
commit
|
commitdiff
|
tree
2014-06-02
Erik Lindahl
Added grompp checks for zero atom masses in state B
commit
|
commitdiff
|
tree
2014-06-01
Erik Lindahl
Two quotes contributed by Vedran Miletic
commit
|
commitdiff
|
tree
2014-05-27
Roland Schulz
Merge release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-05-20
Mark Abraham
Fix copyright years for new code
commit
|
commitdiff
|
tree
2014-05-15
David van der Spoel
Added cmake profiling support
commit
|
commitdiff
|
tree
2014-05-13
Mark Abraham
Prohibit AVX_256 with buggy gcc 4.6.1
commit
|
commitdiff
|
tree
2014-04-29
Mark Abraham
Merge branch release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2014-04-10
Mark Abraham
Merge branch 'release-4-6' into release-5-0
commit
|
commitdiff
|
tree
2014-04-10
Teemu Murtola
Move part of types/simple.h to utility/
commit
|
commitdiff
|
tree
2014-04-07
Mark Abraham
Version bump for 5.0-rc1
commit
|
commitdiff
|
tree
2014-03-31
Teemu Murtola
Remove #include <...> for local files in gmx-view
commit
|
commitdiff
|
tree
2014-03-26
Mark Abraham
Fix use of inline in IMD
commit
|
commitdiff
|
tree
2014-03-23
Mark Abraham
Merge branch release-4-6
commit
|
commitdiff
|
tree
2014-03-18
Mark Abraham
Revert "Added new amber99sb-ildn-bsc0 force field."
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraham
House-keeping for MTTK
commit
|
commitdiff
|
tree
2014-03-17
Mark Abraham
Merge branch release-4-6
commit
|
commitdiff
|
tree
2014-03-11
Rossen Apostolov
Removed .itp files from top level directory.
commit
|
commitdiff
|
tree
2014-03-06
Mark Abraham
Fix formatting in install guide
commit
|
commitdiff
|
tree
2014-03-06
Mark Abraham
Fix CMake syntax error
commit
|
commitdiff
|
tree
2014-03-03
Mark Abraham
Fix calling SIMD group kernels
commit
|
commitdiff
|
tree
next