biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Added a bunch of quotes from the 2013 Nobel lectures
2013-12-17
Erik Lindahl
Added a bunch of quotes from the 2013 Nobel lectures
commit
|
commitdiff
|
tree
2013-12-16
Erik Lindahl
Moved shared/static library detection to separate module
commit
|
commitdiff
|
tree
2013-12-16
Erik Lindahl
Moved FFT library processing to separate module
commit
|
commitdiff
|
tree
2013-12-16
Erik Lindahl
Moved compiler problem detection into separate module
commit
|
commitdiff
|
tree
2013-12-16
Erik Lindahl
Moved OpenMP detection to separate file.
commit
|
commitdiff
|
tree
2013-11-15
Erik Lindahl
Merge "Merge branch release-4-6"
commit
|
commitdiff
|
tree
2013-09-25
Erik Lindahl
Fix bug in (long) neighborlist SIMD padding when adding...
commit
|
commitdiff
|
tree
2013-05-21
Erik Lindahl
Fujitsu Sparc64 acceleration and general fixes for...
commit
|
commitdiff
|
tree
2013-01-18
Erik Lindahl
Merge "remove unnecessary cmake messages" into release-4-6
commit
|
commitdiff
|
tree
2013-01-18
Erik Lindahl
Merge "fix OpenMP detection on Mac OS broken by a6fee0b...
commit
|
commitdiff
|
tree
2013-01-16
Erik Lindahl
Fixed GB interactions for release-4-6
commit
|
commitdiff
|
tree
2013-01-11
Erik Lindahl
Merge "made SHAKE work again with particle decompostion...
commit
|
commitdiff
|
tree
2013-01-11
Erik Lindahl
Added basic CPU topology information to cpuid code
commit
|
commitdiff
|
tree
2013-01-11
Erik Lindahl
Merge "fixed nbnxn no LJ comb.rule AVX256 PME kernel...
commit
|
commitdiff
|
tree
2013-01-10
Erik Lindahl
Fixed flop-accounting for periodic improper dihedrals
commit
|
commitdiff
|
tree
2013-01-10
Erik Lindahl
Disallow the use of Clang to compile AVX_128_FMA
commit
|
commitdiff
|
tree
2013-01-10
Erik Lindahl
Remove broken g_dih tool
commit
|
commitdiff
|
tree
2013-01-10
Erik Lindahl
Revert default rlist/rvdw/rcoulomb to valid values...
commit
|
commitdiff
|
tree
2013-01-10
Erik Lindahl
Fixes SSE/AVX compilation under Windows
commit
|
commitdiff
|
tree
2013-01-09
Erik Lindahl
Merge "Corrected gmxcheck output for Gromos96 bonds...
commit
|
commitdiff
|
tree
2013-01-09
Erik Lindahl
Added work-around for gcc bug in AVX intrinsincs formal...
commit
|
commitdiff
|
tree
2013-01-08
Erik Lindahl
Add check to remove zero Charmm dihedrals
commit
|
commitdiff
|
tree
2013-01-08
Erik Lindahl
Do not always add -msse2 to release flags for icc
commit
|
commitdiff
|
tree
2012-12-30
Erik Lindahl
Fixed GMXRC so we are not polluting standard shell...
commit
|
commitdiff
|
tree
2012-12-30
Erik Lindahl
Merge "Thread-MPI fixes for i386 llvm & simplification...
commit
|
commitdiff
|
tree
2012-12-27
Erik Lindahl
Fixed error message for zwitterion residues
commit
|
commitdiff
|
tree
2012-12-21
Erik Lindahl
Fixed gmx_cpuid not working on non-x86
commit
|
commitdiff
|
tree
2012-12-20
Erik Lindahl
Merge "cmake: added option to disable quotes" into...
commit
|
commitdiff
|
tree
2012-12-20
Erik Lindahl
Merge "Small fix for g_tune_pme" into release-4-6
commit
|
commitdiff
|
tree
2012-12-20
Erik Lindahl
Merge "Fixes for andersen temperature control" into...
commit
|
commitdiff
|
tree
2012-12-20
Erik Lindahl
Merge "Fixes for expanded ensemble and HREPEX" into...
commit
|
commitdiff
|
tree
2012-12-20
Erik Lindahl
Fixed AVX256 double-precision kernels for gcc
commit
|
commitdiff
|
tree
2012-11-29
Erik Lindahl
Double precision AVX-256 kernels
commit
|
commitdiff
|
tree
2012-11-29
Erik Lindahl
Double precision AVX_128_FMA kernels
commit
|
commitdiff
|
tree
2012-11-28
Erik Lindahl
SSE4.1 double precision kernels
commit
|
commitdiff
|
tree
2012-11-28
Erik Lindahl
Double precision SSE2 kernels
commit
|
commitdiff
|
tree
2012-11-28
Erik Lindahl
Ported back some AVX256 optimizations to SSE2/SSE4...
commit
|
commitdiff
|
tree
2012-11-28
Erik Lindahl
128-bit AVX kernels, with FMA instructions for Opteron...
commit
|
commitdiff
|
tree
2012-11-27
Erik Lindahl
Nonbonded group kernels for 256-bit AVX (Intel CPUs)
commit
|
commitdiff
|
tree
2012-11-27
Erik Lindahl
Merge "Added affinity support check, visibility macros...
commit
|
commitdiff
|
tree
2012-11-27
Erik Lindahl
Merge "fixed bug in nbnxn OpenMP non-bonded force reduction...
commit
|
commitdiff
|
tree
2012-11-26
Erik Lindahl
Merge "Use stat for gmx_is_file. Fix get_libdir with...
commit
|
commitdiff
|
tree
2012-11-26
Erik Lindahl
Merge "Extended build information output and reference...
commit
|
commitdiff
|
tree
2012-11-22
Erik Lindahl
Fix for icc 13 optimization-related issue and TIP4P...
commit
|
commitdiff
|
tree
2012-11-22
Erik Lindahl
Implemented RMS-based force tolerance in gmxcheck
commit
|
commitdiff
|
tree
2012-11-22
Erik Lindahl
Fixed LJ-14 error in free energy
commit
|
commitdiff
|
tree
2012-11-19
Erik Lindahl
SSE4.1 single-precision kernels
commit
|
commitdiff
|
tree
2012-11-16
Erik Lindahl
SSE2 single-precision kernels
commit
|
commitdiff
|
tree
2012-11-13
Erik Lindahl
Removed some unnecessary instructions, and fixed a...
commit
|
commitdiff
|
tree
2012-11-09
Erik Lindahl
Removed old (now unused) bluegene kernels.
commit
|
commitdiff
|
tree
2012-11-09
Erik Lindahl
Removed unused old kernel generator
commit
|
commitdiff
|
tree
2012-11-09
Erik Lindahl
Removal of stale Fortran/Power6 kernels
commit
|
commitdiff
|
tree
2012-11-09
Erik Lindahl
Removal of stale Fortran kernels
commit
|
commitdiff
|
tree
2012-11-08
Erik Lindahl
Fixed bug in the new switch-modified interactions in...
commit
|
commitdiff
|
tree
2012-11-08
Erik Lindahl
Allow rcoulomb=rlistlong for PME with nstcalclr=1
commit
|
commitdiff
|
tree
2012-11-08
Erik Lindahl
Infrastructure for new group kernels, and new C kernels
commit
|
commitdiff
|
tree
2012-06-21
Erik Lindahl
Fixed gcc inline assembly issue with PIC and older...
commit
|
commitdiff
|
tree
2012-06-16
Erik Lindahl
New CPU detection & AVX/SSE code, removed raw assembly...
commit
|
commitdiff
|
tree
2011-09-16
Erik Lindahl
Merge "made allocation for LINCS with particle decomposition...
commit
|
commitdiff
|
tree
2011-09-13
Erik Lindahl
Introduced different options for pdb2gmx termini introductio...
commit
|
commitdiff
|
tree
2011-09-13
Erik Lindahl
Fixed incorrection AmberGS force field (redmine #728)
commit
|
commitdiff
|
tree
2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
commit
|
commitdiff
|
tree
2011-05-05
Erik Lindahl
Update doc to clarify that Amber nucleic params are...
commit
|
commitdiff
|
tree
2011-05-05
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
commit
|
commitdiff
|
tree
2011-05-05
Erik Lindahl
Update doc to clarify that Amber nucleic params are...
commit
|
commitdiff
|
tree
2011-01-30
Erik Lindahl
Improved PBC handling for large molecules during cluster PBC
commit
|
commitdiff
|
tree
2011-01-30
Erik Lindahl
Fixed the pbc cluster option of trjconv by switching...
commit
|
commitdiff
|
tree
2010-10-09
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
commit
|
commitdiff
|
tree
2010-10-09
Erik Lindahl
Fixed uninitialized variable warning in grompp.c
commit
|
commitdiff
|
tree
2010-09-01
Erik Lindahl
Removed lots of unnecessary messages to stdout from...
commit
|
commitdiff
|
tree
2010-09-01
Erik Lindahl
Added Gerrit to the list of authors. Sorry for forgetting...
commit
|
commitdiff
|
tree
2010-08-31
Erik Lindahl
Made the options program for the latex manual compile...
commit
|
commitdiff
|
tree
2010-08-31
Erik Lindahl
Fixed typo in src/contrib/Makefile.am
commit
|
commitdiff
|
tree
2010-08-31
Erik Lindahl
Fixed incorrect call to gmx_finalize() in gmx_pme_error()
commit
|
commitdiff
|
tree
2010-08-31
Erik Lindahl
Added final newline to avoid compiler warning in sfactor.h
commit
|
commitdiff
|
tree
2010-08-31
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
commit
|
commitdiff
|
tree
2010-08-31
Erik Lindahl
Added Cpack support
commit
|
commitdiff
|
tree
2010-08-31
Erik Lindahl
Added label writing capability to editconf when used...
commit
|
commitdiff
|
tree
2010-08-31
Erik Lindahl
Added check for <2 frames when autocorrelation is requested...
commit
|
commitdiff
|
tree
2010-08-31
Erik Lindahl
Moved buggy and unsupported g_sdf to contrib directory...
commit
|
commitdiff
|
tree
2010-08-30
Erik Lindahl
Improved handling of include paths in gmxcpp from Teemu
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches'
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Added longer list of authors...
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Added check for SSE2 support to use generalized born...
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Resolved merge conflict in gmx_membed.c
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Fixed gmxcpp to always use unix path separators in...
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Fixed another uninitialized variable warning in gmx_energy.c
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Add current path (./) to topol.top include when force...
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Dont write EOF warnings to stdout every time we checkpoint...
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Fixed first statemement occuring before variable declaration...
commit
|
commitdiff
|
tree
2010-08-27
Erik Lindahl
Added trjconv check for topology prescence, see bugzilla 526
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Modified pdb2gmx to automatically pick the force field...
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Fixed pointer typo in patch from Alexey Shvetsov
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Added PBC checking patch to g_cluster from Alexey Shvetsov...
commit
|
commitdiff
|
tree
2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
commit
|
commitdiff
|
tree
next