biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Small fix for g_tune_pme
[alexxy/gromacs.git]
/
src
/
2012-06-11
Carsten Kutzner
Small fix for g_tune_pme
tree
|
commitdiff
2012-06-08
Christoph Junghans
Merge "Added more suggested strategies to error message...
tree
|
commitdiff
2012-06-06
Mark Abraham
Fix endian test functionality
tree
|
commitdiff
2012-06-04
Mark Abraham
Added more suggested strategies to error message
tree
|
commitdiff
2012-06-01
Christoph Junghans
Merge "Replace our fftpack version with Numpy's version...
tree
|
commitdiff
2012-06-01
Roland Schulz
Replace our fftpack version with Numpy's version
tree
|
commitdiff
2012-05-30
Teemu Murtola
Fix use after free in g_anaeig projection code.
tree
|
commitdiff
2012-05-29
Sander Pronk
Removed dependency on windows.h through commrec.h,...
tree
|
commitdiff
2012-05-28
Christoph Junghans
Merge "Continuing to fix threading on Cygwin" into...
tree
|
commitdiff
2012-05-27
Roland Schulz
Fix editconf real-bool misusage
tree
|
commitdiff
2012-05-27
Roland Schulz
Fix Clang 3.1 warning
tree
|
commitdiff
2012-05-26
Mark Abraham
Continuing to fix threading on Cygwin
tree
|
commitdiff
2012-05-21
Berk Hess
re-introduced fix for real/double issue in gmx_density
tree
|
commitdiff
2012-05-08
Berk Hess
fixed mdrun -cpi SD and pcoupl initialization
tree
|
commitdiff
2012-04-29
Roland Schulz
Don't enable ASM if no asm kernel is selected
tree
|
commitdiff
2012-04-28
Mark Abraham
Merge "Remove checks based on Generator" into release...
tree
|
commitdiff
2012-04-28
Mark Abraham
Merge "Fix version info generation for autoconf." into...
tree
|
commitdiff
2012-04-27
Berk Hess
changed PME MPI_Comm comparisions to MPI_COMM_NULL...
tree
|
commitdiff
2012-04-27
Teemu Murtola
Fix version info generation for autoconf.
tree
|
commitdiff
2012-04-26
Berk Hess
fixed dispersion correction with parallel EM
tree
|
commitdiff
2012-04-26
Szilárd Páll
Merge "fixed initial COM motion removal with multiple...
tree
|
commitdiff
2012-04-26
David van der Spoel
Merge "Various improvements to shell code" into release...
tree
|
commitdiff
2012-04-25
Berk Hess
fixed initial COM motion removal with multiple groups
tree
|
commitdiff
2012-04-24
Berk Hess
Merge "allow -append to overrule unsupported file locki...
tree
|
commitdiff
2012-04-19
Mark Abraham
Various improvements to shell code
tree
|
commitdiff
2012-04-18
Berk Hess
fixed segfault in graph code with coordinate subsets
tree
|
commitdiff
2012-04-18
Berk Hess
allow -append to overrule unsupported file locking
tree
|
commitdiff
2012-04-18
Szilard Pall
added missing #ifdef around #include "thread_mpi.h"
tree
|
commitdiff
2012-04-17
Berk Hess
changed mdrun file locking not supported error to a...
tree
|
commitdiff
2012-04-16
Sander Pronk
Merge "Permit threads build on Cygwin" into release...
tree
|
commitdiff
2012-04-14
Teemu Murtola
Merge "Clarified warning message" into release-4-5...
tree
|
commitdiff
2012-04-14
Teemu Murtola
Merge "Clarified warning string" into release-4-5-patches
tree
|
commitdiff
2012-04-14
Mark Abraham
Described default output behaviour
tree
|
commitdiff
2012-04-14
Mark Abraham
Clarified warning message
tree
|
commitdiff
2012-04-14
Mark Abraham
Clarified warning string
tree
|
commitdiff
2012-04-12
Teemu Murtola
Read PDB information in read_tps_conf().
tree
|
commitdiff
2012-04-11
Roland Schulz
Fix that directory is not mistaken for binary
tree
|
commitdiff
2012-04-10
Mark Abraham
Made g_helix sensitive to CHARMM atom naming
tree
|
commitdiff
2012-04-09
Christoph Junghans
Merge "Documentation and error message enhancements...
tree
|
commitdiff
2012-04-09
Mark Abraham
Documentation and error message enhancements
tree
|
commitdiff
2012-04-09
Christoph Junghans
Merge "Consolidated documentation of .mdp restraint...
tree
|
commitdiff
2012-04-06
Roland Schulz
Fix domain decomposition setup for >46k cores
tree
|
commitdiff
2012-04-03
Roland Schulz
Merge "Fixes problems with g_msd and g_energy" into...
tree
|
commitdiff
2012-04-02
Michael Shirts
Fixes problems with g_msd and g_energy
tree
|
commitdiff
2012-04-02
David van der Spoel
Merge "Improved pdb2gmx error message" into release...
tree
|
commitdiff
2012-04-02
Mark Abraham
Improved pdb2gmx error message
tree
|
commitdiff
2012-03-27
Berk Hess
added correction for PME virial with non-linear virtual...
tree
|
commitdiff
2012-03-23
Berk Hess
fixed g_bar xvg reading issue
tree
|
commitdiff
2012-03-18
Christoph Junghans
Merge "Warnings against equilibrating with P-R P-coupli...
tree
|
commitdiff
2012-03-18
David van der Spoel
Merge "Fix typo in Clang CFlags" into release-4-5-patches
tree
|
commitdiff
2012-03-18
Mark Abraham
Warnings against equilibrating with P-R P-coupling
tree
|
commitdiff
2012-03-17
Berk Hess
fixed increasing memory usage with SHAKE and DD
tree
|
commitdiff
2012-03-15
Christoph Junghans
Merge "Clarified wording of documentation" into release...
tree
|
commitdiff
2012-03-14
Mark Abraham
Changed cryptic error messages about disk quota
tree
|
commitdiff
2012-03-12
Christoph Junghans
Merge "More editorial fixes to tool documentation"...
tree
|
commitdiff
2012-03-12
Teemu Murtola
Merge "Made description string for g_select -select...
tree
|
commitdiff
2012-03-09
David van der Spoel
Merge "Improved cryptic error message" into release...
tree
|
commitdiff
2012-03-09
Carsten Kutzner
Merge "Improved warning note with DD and periodic molec...
tree
|
commitdiff
2012-03-09
Mark Abraham
More editorial fixes to tool documentation
tree
|
commitdiff
2012-03-09
Mark Abraham
Editorial changes to tools documentation
tree
|
commitdiff
2012-03-08
Mark Abraham
Improved warning note with DD and periodic molecules
tree
|
commitdiff
2012-03-08
Mark Abraham
Made description string for g_select -select clearer
tree
|
commitdiff
2012-03-08
Mark Abraham
Improved cryptic error message
tree
|
commitdiff
2012-03-08
David van der Spoel
Merge "Minimal support for Clang" into release-4-5...
tree
|
commitdiff
2012-03-05
Berk Hess
fixed g_anaeig incorrect multiple extremes, fixes #870
tree
|
commitdiff
2012-03-05
Berk Hess
added check for mass-weighting with g_anaeig -entropy...
tree
|
commitdiff
2012-03-05
Berk Hess
removed initial temperature with OpenMM, fixes #757
tree
|
commitdiff
2012-03-04
Roland Schulz
Minimal support for Clang
tree
|
commitdiff
2012-02-28
Berk Hess
fixed array index out of bounds in EM force trr storage
tree
|
commitdiff
2012-02-25
David van der Spoel
Merge "Minor formatting fixes to .mdp option documentat...
tree
|
commitdiff
2012-02-23
Mark Abraham
Fix pdb2gmx -cmap in corner cases
tree
|
commitdiff
2012-02-21
Teemu Murtola
Merge "Use Git server (mirror) to avoid fetching proble...
tree
|
commitdiff
2012-02-13
Sander Pronk
Fixed an allocation issue with dH histograms.
tree
|
commitdiff
2012-02-11
Szilárd Páll
Merge changes If0c2f9d9,Ic2a8ad82 into release-4-5...
tree
|
commitdiff
2012-02-10
Mark Abraham
Fixed g_sham using more than three dimensions
tree
|
commitdiff
2012-02-10
Mark Abraham
Integer multiplication that checks for overflow
tree
|
commitdiff
2012-02-10
Christoph Junghans
Merge "Fixed bug with COM motion removal on part of...
tree
|
commitdiff
2012-02-06
Berk Hess
Fixed bug with COM motion removal on part of the system
tree
|
commitdiff
2012-02-05
Roland Schulz
Fix ICC on Windows Build
tree
|
commitdiff
2012-02-02
Szilárd Páll
Merge "Append all ICC Performance flags only to Release...
tree
|
commitdiff
2012-02-02
Teemu Murtola
Merge "Revert "Fix ICC on Windows Build"" into release...
tree
|
commitdiff
2012-02-01
David van der Spoel
Merge "Fixed error message to identify the correct...
tree
|
commitdiff
2012-02-01
David van der Spoel
Merge "Fixed trjconv -sub" into release-4-5-patches
tree
|
commitdiff
2012-02-01
David van der Spoel
Merge "Improved error message" into release-4-5-patches
tree
|
commitdiff
2012-02-01
Mark Abraham
Fixed trjconv -sub
tree
|
commitdiff
2012-02-01
Mark Abraham
Fixed error message to identify the correct file
tree
|
commitdiff
2012-02-01
Christoph Junghans
Merge "Fix signed/unsigned warnings" into release-4...
tree
|
commitdiff
2012-02-01
Mark Abraham
Improved error message
tree
|
commitdiff
2012-01-31
Roland Schulz
Revert "Fix ICC on Windows Build"
tree
|
commitdiff
2012-01-31
David van der Spoel
Merge "Fix ICC on Windows Build" into release-4-5-patches
tree
|
commitdiff
2012-01-31
Mark Abraham
Merge "Corrected use of ?: in conditional" into release...
tree
|
commitdiff
2012-01-31
Roland Schulz
Fix signed/unsigned warnings
tree
|
commitdiff
2012-01-31
Mark Abraham
Made error message even more explicit
tree
|
commitdiff
2012-01-31
Roland Schulz
Fix ICC on Windows Build
tree
|
commitdiff
2012-01-31
Mark Abraham
Corrected use of ?: in conditional
tree
|
commitdiff
2012-01-25
Roland Schulz
Merge "New approach for GerritBuild script" into releas...
tree
|
commitdiff
2012-01-20
David van der Spoel
Merge "Fixed timing measurements." into release-4-5...
tree
|
commitdiff
2012-01-17
Szilard Pall
Fixed timing measurements.
tree
|
commitdiff
2012-01-16
Sander Pronk
Thread affinity and x86 assembly fixes for thread_mpi
tree
|
commitdiff
2012-01-15
Christoph Junghans
Merge "Added CMake Toolchain file for BlueGene/P" into...
tree
|
commitdiff
next