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
2012-04-02
David van der...
Merge "Improved pdb2gmx error message" into release...
commit
|
commitdiff
|
tree
|
snapshot
2012-04-02
Mark Abraham
Improved pdb2gmx error message
commit
|
commitdiff
|
tree
|
snapshot
2012-04-02
Mark Abraham
Keep CMake quiet about a Cygwin issue
commit
|
commitdiff
|
tree
|
snapshot
2012-03-27
Berk Hess
added correction for PME virial with non-linear virtual...
commit
|
commitdiff
|
tree
|
snapshot
2012-03-23
Berk Hess
fixed g_bar xvg reading issue
commit
|
commitdiff
|
tree
|
snapshot
2012-03-18
Christoph Junghans
Merge "Warnings against equilibrating with P-R P-coupli...
commit
|
commitdiff
|
tree
|
snapshot
2012-03-18
David van der...
Merge "Fix typo in Clang CFlags" into release-4-5-patches
commit
|
commitdiff
|
tree
|
snapshot
2012-03-18
Mark Abraham
Warnings against equilibrating with P-R P-coupling
commit
|
commitdiff
|
tree
|
snapshot
2012-03-17
Berk Hess
fixed increasing memory usage with SHAKE and DD
commit
|
commitdiff
|
tree
|
snapshot
2012-03-15
Christoph Junghans
Merge "Clarified wording of documentation" into release...
commit
|
commitdiff
|
tree
|
snapshot
2012-03-15
Mark Abraham
Clarified wording of documentation
commit
|
commitdiff
|
tree
|
snapshot
2012-03-14
Mark Abraham
Changed cryptic error messages about disk quota
commit
|
commitdiff
|
tree
|
snapshot
2012-03-12
Christoph Junghans
Merge "More editorial fixes to tool documentation"...
commit
|
commitdiff
|
tree
|
snapshot
2012-03-12
Teemu Murtola
Merge "Made description string for g_select -select...
commit
|
commitdiff
|
tree
|
snapshot
2012-03-10
Roland Schulz
Fix typo in Clang CFlags
commit
|
commitdiff
|
tree
|
snapshot
2012-03-09
David van der...
Merge "Improved cryptic error message" into release...
commit
|
commitdiff
|
tree
|
snapshot
2012-03-09
Carsten Kutzner
Merge "Improved warning note with DD and periodic molec...
commit
|
commitdiff
|
tree
|
snapshot
2012-03-09
Mark Abraham
More editorial fixes to tool documentation
commit
|
commitdiff
|
tree
|
snapshot
2012-03-09
Mark Abraham
Editorial changes to tools documentation
commit
|
commitdiff
|
tree
|
snapshot
2012-03-08
Mark Abraham
Improved warning note with DD and periodic molecules
commit
|
commitdiff
|
tree
|
snapshot
2012-03-08
Mark Abraham
Made description string for g_select -select clearer
commit
|
commitdiff
|
tree
|
snapshot
2012-03-08
Mark Abraham
Improved cryptic error message
commit
|
commitdiff
|
tree
|
snapshot
2012-03-08
David van der...
Merge "Minimal support for Clang" into release-4-5...
commit
|
commitdiff
|
tree
|
snapshot
2012-03-05
Berk Hess
fixed g_anaeig incorrect multiple extremes, fixes #870
commit
|
commitdiff
|
tree
|
snapshot
2012-03-05
Berk Hess
added check for mass-weighting with g_anaeig -entropy...
commit
|
commitdiff
|
tree
|
snapshot
2012-03-05
Berk Hess
removed initial temperature with OpenMM, fixes #757
commit
|
commitdiff
|
tree
|
snapshot
2012-03-04
Roland Schulz
Minimal support for Clang
commit
|
commitdiff
|
tree
|
snapshot
2012-02-28
Berk Hess
fixed array index out of bounds in EM force trr storage
commit
|
commitdiff
|
tree
|
snapshot
2012-02-25
David van der...
Merge "Minor formatting fixes to .mdp option documentat...
commit
|
commitdiff
|
tree
|
snapshot
2012-02-24
Mark Abraham
Minor formatting fixes to .mdp option documentation
commit
|
commitdiff
|
tree
|
snapshot
2012-02-23
Mark Abraham
Fix pdb2gmx -cmap in corner cases
commit
|
commitdiff
|
tree
|
snapshot
2012-02-22
Sander Pronk
Fixed ABI warning for thread_mpi on gcc 4.6 for x86.
commit
|
commitdiff
|
tree
|
snapshot
2012-02-21
Teemu Murtola
Merge "Use Git server (mirror) to avoid fetching proble...
commit
|
commitdiff
|
tree
|
snapshot
2012-02-21
Roland Schulz
Use Git server (mirror) to avoid fetching problems
commit
|
commitdiff
|
tree
|
snapshot
2012-02-13
Sander Pronk
Fixed an allocation issue with dH histograms.
commit
|
commitdiff
|
tree
|
snapshot
2012-02-11
Szilárd Páll
Merge changes If0c2f9d9,Ic2a8ad82 into release-4-5...
commit
|
commitdiff
|
tree
|
snapshot
2012-02-10
Mark Abraham
Fixed g_sham using more than three dimensions
commit
|
commitdiff
|
tree
|
snapshot
2012-02-10
Mark Abraham
Integer multiplication that checks for overflow
commit
|
commitdiff
|
tree
|
snapshot
2012-02-10
Christoph Junghans
Merge "Fixed bug with COM motion removal on part of...
commit
|
commitdiff
|
tree
|
snapshot
2012-02-06
Berk Hess
Fixed bug with COM motion removal on part of the system
commit
|
commitdiff
|
tree
|
snapshot
2012-02-05
Roland Schulz
Fix ICC on Windows Build
commit
|
commitdiff
|
tree
|
snapshot
2012-02-02
Szilárd Páll
Merge "Append all ICC Performance flags only to Release...
commit
|
commitdiff
|
tree
|
snapshot
2012-02-02
Teemu Murtola
Merge "Revert "Fix ICC on Windows Build"" into release...
commit
|
commitdiff
|
tree
|
snapshot
2012-02-01
David van der...
Merge "Fixed error message to identify the correct...
commit
|
commitdiff
|
tree
|
snapshot
2012-02-01
David van der...
Merge "Fixed trjconv -sub" into release-4-5-patches
commit
|
commitdiff
|
tree
|
snapshot
2012-02-01
David van der...
Merge "Improved error message" into release-4-5-patches
commit
|
commitdiff
|
tree
|
snapshot
2012-02-01
Mark Abraham
Fixed trjconv -sub
commit
|
commitdiff
|
tree
|
snapshot
2012-02-01
Mark Abraham
Fixed error message to identify the correct file
commit
|
commitdiff
|
tree
|
snapshot
2012-02-01
Christoph Junghans
Merge "Fix signed/unsigned warnings" into release-4...
commit
|
commitdiff
|
tree
|
snapshot
2012-02-01
Mark Abraham
Improved error message
commit
|
commitdiff
|
tree
|
snapshot
2012-01-31
Roland Schulz
Revert "Fix ICC on Windows Build"
commit
|
commitdiff
|
tree
|
snapshot
2012-01-31
Roland Schulz
Append all ICC Performance flags only to Release Flags
commit
|
commitdiff
|
tree
|
snapshot
2012-01-31
David van der...
Merge "Fix ICC on Windows Build" into release-4-5-patches
commit
|
commitdiff
|
tree
|
snapshot
2012-01-31
Mark Abraham
Merge "Corrected use of ?: in conditional" into release...
commit
|
commitdiff
|
tree
|
snapshot
2012-01-31
Roland Schulz
Fix signed/unsigned warnings
commit
|
commitdiff
|
tree
|
snapshot
2012-01-31
Mark Abraham
Made error message even more explicit
commit
|
commitdiff
|
tree
|
snapshot
2012-01-31
Roland Schulz
Fix ICC on Windows Build
commit
|
commitdiff
|
tree
|
snapshot
2012-01-31
Mark Abraham
Corrected use of ?: in conditional
commit
|
commitdiff
|
tree
|
snapshot
2012-01-25
Roland Schulz
Merge "New approach for GerritBuild script" into releas...
commit
|
commitdiff
|
tree
|
snapshot
2012-01-20
David van der...
Merge "Fixed timing measurements." into release-4-5...
commit
|
commitdiff
|
tree
|
snapshot
2012-01-18
Roland Schulz
New approach for GerritBuild script
commit
|
commitdiff
|
tree
|
snapshot
2012-01-17
Szilard Pall
Fixed timing measurements.
commit
|
commitdiff
|
tree
|
snapshot
2012-01-16
Sander Pronk
Thread affinity and x86 assembly fixes for thread_mpi
commit
|
commitdiff
|
tree
|
snapshot
2012-01-15
Christoph Junghans
Merge "Added CMake Toolchain file for BlueGene/P" into...
commit
|
commitdiff
|
tree
|
snapshot
2012-01-10
Mark Abraham
Fixed use of isfinite and _isfinite
commit
|
commitdiff
|
tree
|
snapshot
2012-01-04
Christoph Junghans
Merge "Documented the function of g_cluster -cl -noav...
commit
|
commitdiff
|
tree
|
snapshot
2012-01-04
David van der...
Introduced fatal error in grompp for incorrect use...
commit
|
commitdiff
|
tree
|
snapshot
2012-01-04
Mark Abraham
Added CMake Toolchain file for BlueGene/P
commit
|
commitdiff
|
tree
|
snapshot
2011-12-29
Mark Abraham
Documented the function of g_cluster -cl -noav
commit
|
commitdiff
|
tree
|
snapshot
2011-12-27
Roland Schulz
Merge "Added -dhdl to tpr file list, fixes #855" into...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-20
Carsten Kutzner
Added -dhdl to tpr file list, fixes #855
commit
|
commitdiff
|
tree
|
snapshot
2011-12-20
Roland Schulz
Merge "Using MinSizeRel configuration and Release targe...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-20
Roland Schulz
Merge changes Iaf4c56b7,Ibabed87f into release-4-5...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-19
Christoph Junghans
Set GMX_*_ASM true if GMX_ACCELERATION != auto
commit
|
commitdiff
|
tree
|
snapshot
2011-12-15
Roland Schulz
Using MinSizeRel configuration and Release target on...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-15
Roland Schulz
Testing external BLAS/LAPACK
commit
|
commitdiff
|
tree
|
snapshot
2011-12-15
Roland Schulz
Using 2 cores per build on Windows
commit
|
commitdiff
|
tree
|
snapshot
2011-12-14
Roland Schulz
Merge "Re-fixed static linking of maths libraries under...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-14
Mark Abraham
Re-fixed static linking of maths libraries under UNIX
commit
|
commitdiff
|
tree
|
snapshot
2011-12-13
Roland Schulz
Merge "Relaxed some assumptions about trajectory times...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-13
Mark Abraham
Relaxed some assumptions about trajectory times
commit
|
commitdiff
|
tree
|
snapshot
2011-12-11
Roland Schulz
Merge "Set -DMPI only if compiled for FAH" into release...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-11
Roland Schulz
Set -DMPI only if compiled for FAH
commit
|
commitdiff
|
tree
|
snapshot
2011-12-11
Roland Schulz
Fixing MSVC unsigned/signed warnings
commit
|
commitdiff
|
tree
|
snapshot
2011-12-10
Roland Schulz
Run tests also on Windows
commit
|
commitdiff
|
tree
|
snapshot
2011-12-09
Roland Schulz
Only check those atoms for PBC which are part of select...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-08
Roland Schulz
Merge "Fix selection parsing in double precision."...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-08
Roland Schulz
Merge "Avoid possible warnings if HUGE_VAL != infinity...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-03
Roland Schulz
Adding support for Windows build and different CMake...
commit
|
commitdiff
|
tree
|
snapshot
2011-12-01
Teemu Murtola
Fix selection parsing in double precision.
commit
|
commitdiff
|
tree
|
snapshot
2011-12-01
Teemu Murtola
Avoid possible warnings if HUGE_VAL != infinity.
commit
|
commitdiff
|
tree
|
snapshot
2011-11-30
Roland Schulz
Adding Gerrit Build description
commit
|
commitdiff
|
tree
|
snapshot
2011-11-30
Roland Schulz
Removing TestBuildAll test
commit
|
commitdiff
|
tree
|
snapshot
2011-11-28
Roland Schulz
Fix FFTW API usage
commit
|
commitdiff
|
tree
|
snapshot
2011-11-27
Roland Schulz
Merge "Initialize variables to make GCC 4.6 not complai...
commit
|
commitdiff
|
tree
|
snapshot
2011-11-27
Berk Hess
fixed pull constraint periodicity consistency check...
commit
|
commitdiff
|
tree
|
snapshot
2011-11-24
Roland Schulz
Initialize variables to make GCC 4.6 not complain
commit
|
commitdiff
|
tree
|
snapshot
2011-11-24
Mark Abraham
Only analyse angle transitions for dihedral angles
commit
|
commitdiff
|
tree
|
snapshot
2011-11-24
Roland Schulz
Merge "Fixed g_angle -f -or to copy times from -f to...
commit
|
commitdiff
|
tree
|
snapshot
2011-11-24
Mark Abraham
Added protective preprocessor directives
commit
|
commitdiff
|
tree
|
snapshot
next