biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Merge "Fix SelectionParserParameter move constructor problem."
2012-09-04
Christoph Junghans
Merge "Fix SelectionParserParameter move constructor...
commit
|
commitdiff
|
tree
2012-08-06
Christoph Junghans
Merge "Clarify TestFileManager naming and comments."
commit
|
commitdiff
|
tree
2012-07-29
Teemu Murtola
Reorganize Doxygen build.
commit
|
commitdiff
|
tree
2012-07-28
Christoph Junghans
Merge "Increase miminum boost version to 1.44"
commit
|
commitdiff
|
tree
2012-07-28
Christoph Junghans
Merge "Fix a few doxygen warnings."
commit
|
commitdiff
|
tree
2012-07-28
Roland Schulz
Merge "Fix clang 3.2 warnings."
commit
|
commitdiff
|
tree
2012-07-26
Christoph Junghans
Merge changes I33cd59e6,I8a2e539f
commit
|
commitdiff
|
tree
2012-07-26
Roland Schulz
Fix that VMD version check was performed for binary...
commit
|
commitdiff
|
tree
2012-07-25
Roland Schulz
Merge "cmake: allow switch between single and double...
commit
|
commitdiff
|
tree
2012-07-25
Roland Schulz
Merge "fix a segfault in sse_mask_init" into release-4-6
commit
|
commitdiff
|
tree
2012-07-16
Christoph Junghans
Merge "Removed commas from gmx_hbond OpenMP constructs...
commit
|
commitdiff
|
tree
2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
commit
|
commitdiff
|
tree
2012-07-15
Roland Schulz
Take first description if programs.txt has more than...
commit
|
commitdiff
|
tree
2012-07-15
David van der Spoel
Merge "Autogenerate gromacs.7 from programs.txt" into...
commit
|
commitdiff
|
tree
2012-07-15
Roland Schulz
Adding missing entries in programs.txt
commit
|
commitdiff
|
tree
2012-07-12
Jochen Hub
Flat-bottomed position restraints
commit
|
commitdiff
|
tree
2012-07-10
Jochen Hub
Extended g_wham to allow the selection of the pull...
commit
|
commitdiff
|
tree
2012-07-09
Christoph Junghans
Merge "Fixed bug in sfactor.c that makes g_rdf -sq...
commit
|
commitdiff
|
tree
2012-07-06
Carsten Kutzner
Enforced rotation: PBC/restart fix
commit
|
commitdiff
|
tree
2012-07-06
Teemu Murtola
Better invalid option value handling.
commit
|
commitdiff
|
tree
2012-07-06
Roland Schulz
Merge "Remove remaining underscore-prefixed C++ symbols."
commit
|
commitdiff
|
tree
2012-07-06
Roland Schulz
Merge "Set common output directory for binaries"
commit
|
commitdiff
|
tree
2012-07-06
Teemu Murtola
Merge "Test framework for TrajectoryAnalysisModules."
commit
|
commitdiff
|
tree
2012-07-06
Teemu Murtola
Test framework for TrajectoryAnalysisModules.
commit
|
commitdiff
|
tree
2012-07-06
Roland Schulz
Adding FFT Unit Tests
commit
|
commitdiff
|
tree
2012-07-06
Roland Schulz
Don't prevent GMX_PREFER_STATIC_LIBS with BUILD_SHARED_LIBS
commit
|
commitdiff
|
tree
2012-07-06
Roland Schulz
Set common output directory for binaries
commit
|
commitdiff
|
tree
2012-07-05
Christoph Junghans
Merge "Extract doxygen documentation for static symbols."
commit
|
commitdiff
|
tree
2012-07-05
David van der Spoel
Merge "Improve ProgramInfo and use it everywhere."
commit
|
commitdiff
|
tree
2012-07-05
Teemu Murtola
Extract doxygen documentation for static symbols.
commit
|
commitdiff
|
tree
2012-07-05
Christoph Junghans
Merge "Fix most doxygen warnings."
commit
|
commitdiff
|
tree
2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
commit
|
commitdiff
|
tree
2012-07-05
Christoph Junghans
Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6
commit
|
commitdiff
|
tree
2012-07-05
Christoph Junghans
Merge "Finalized and extended Szilard's openMP cleanup...
commit
|
commitdiff
|
tree
2012-07-04
Roland Schulz
Merge "Add FindGROMACS.cmake to template's CMakeLists...
commit
|
commitdiff
|
tree
2012-07-04
Roland Schulz
Merge "Fixed bug in free energy calculation for Morse...
commit
|
commitdiff
|
tree
2012-07-04
Roland Schulz
Remove unused FFT functions
commit
|
commitdiff
|
tree
2012-07-04
Teemu Murtola
Fix most doxygen warnings.
commit
|
commitdiff
|
tree
2012-07-04
Berk Hess
set default for rcoulomb, rvdw and rlist to -1
commit
|
commitdiff
|
tree
2012-07-03
Teemu Murtola
Improve ProgramInfo and use it everywhere.
commit
|
commitdiff
|
tree
2012-07-03
Teemu Murtola
Error/exception handling improvements.
commit
|
commitdiff
|
tree
2012-07-03
Teemu Murtola
Always build thread_mpi threading into libgromacs.
commit
|
commitdiff
|
tree
2012-07-03
Szilárd Páll
Merge "Minor formatting and consistency changes to...
commit
|
commitdiff
|
tree
2012-06-29
Sebastian Fritsch
Merge "Fixed adress kernel for double precision" into...
commit
|
commitdiff
|
tree
2012-06-28
Christoph Junghans
Merge "Fix MPI build for MPI library without mpi wrapper...
commit
|
commitdiff
|
tree
2012-06-27
Szilard Pall
fixes typo gmx_omp introduced by 697bcdc
commit
|
commitdiff
|
tree
2012-06-27
Christoph Junghans
Merge "Make C++11 test quiet after the first cmake...
commit
|
commitdiff
|
tree
2012-06-27
Christoph Junghans
Merge "Use VERSION_LESS in the version detection code."
commit
|
commitdiff
|
tree
2012-06-27
Roland Schulz
Fix for boost version check added by 6b4c9bc
commit
|
commitdiff
|
tree
2012-06-26
Teemu Murtola
Update CPack package version.
commit
|
commitdiff
|
tree
2012-06-26
Roland Schulz
Merge "Make sure that found Boost version is new enough"
commit
|
commitdiff
|
tree
2012-06-26
Teemu Murtola
Merge "Merge remote-tracking branch 'origin/release...
commit
|
commitdiff
|
tree
2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into release-4-6
commit
|
commitdiff
|
tree
2012-06-26
Christoph Junghans
Merge "Merge remote-tracking branch 'gerrit/release...
commit
|
commitdiff
|
tree
2012-06-24
Christoph Junghans
Merge "Remove MPI define for FAH" into release-4-6
commit
|
commitdiff
|
tree
2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
commit
|
commitdiff
|
tree
2012-06-23
Roland Schulz
Fix illegal usage of MPI_Comm_create
commit
|
commitdiff
|
tree
2012-06-22
Christoph Junghans
Merge "Simple patch for openmm_wrapper.cpp" into release-4-6
commit
|
commitdiff
|
tree
2012-06-20
Roland Schulz
Fix gmx_fatal for serial compilation
commit
|
commitdiff
|
tree
2012-06-19
Mark Abraham
Merge "Fixes #882 - looping bug in trxio.c" into release...
commit
|
commitdiff
|
tree
2012-06-19
Christoph Junghans
Merge "Quiet linker on BlueGene" into release-4-5-patches
commit
|
commitdiff
|
tree
2012-06-18
Christoph Junghans
Merge "Fix g_lie counting last frame twice" into release...
commit
|
commitdiff
|
tree
2012-06-18
Martin Hoefling
gmx_dyecoupl: check selected groups from user
commit
|
commitdiff
|
tree
2012-06-16
David van der Spoel
Fixes #882 - looping bug in trxio.c
commit
|
commitdiff
|
tree
2012-06-15
Erik Marklund
Makes g_hbond -contact work
commit
|
commitdiff
|
tree
2012-06-15
Christoph Junghans
Merge "Remove unnecessary *-impl.h files."
commit
|
commitdiff
|
tree
2012-06-15
Christoph Junghans
Merge "Work around failure of endianness testing on...
commit
|
commitdiff
|
tree
2012-06-14
Roland Schulz
Merge "Made mdrun more verbose about PME split" into...
commit
|
commitdiff
|
tree
2012-06-13
Teemu Murtola
Updates to selection online help.
commit
|
commitdiff
|
tree
2012-06-13
Teemu Murtola
Remove unnecessary *-impl.h files.
commit
|
commitdiff
|
tree
2012-06-13
Christoph Junghans
Merge "Merge branch 'release-4-6'"
commit
|
commitdiff
|
tree
2012-06-11
Carsten Kutzner
Small fix for g_tune_pme
commit
|
commitdiff
|
tree
2012-06-08
Christoph Junghans
Merge "Added more suggested strategies to error message...
commit
|
commitdiff
|
tree
2012-06-02
Sander Pronk
thread_mpi C++11 compatible mutex classes
commit
|
commitdiff
|
tree
2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into release-4-6
commit
|
commitdiff
|
tree
2012-06-01
Christoph Junghans
Merge "Replace our fftpack version with Numpy's version...
commit
|
commitdiff
|
tree
2012-06-01
Teemu Murtola
More config.h cleanup.
commit
|
commitdiff
|
tree
2012-05-29
Sander Pronk
Removed dependency on windows.h through commrec.h,...
commit
|
commitdiff
|
tree
2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Continuing to fix threading on Cygwin" into...
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Improve gmx::test::CommandLine."
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Improve analysisdata reference checks."
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Move common test code to testutils."
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Simplify selection parsing methods signature."
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Option parsing through SelectionOptionManager."
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Simpler required selection input from a file."
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Split option code away from SelectionCollection."
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Merge release-4-6 (commit 'Ic142a690')"
commit
|
commitdiff
|
tree
2012-05-28
Christoph Junghans
Merge "Fixed 'g_ana select' broken by I8806b3e0."
commit
|
commitdiff
|
tree
2012-05-27
David van der Spoel
Merge "added explicit sqrtf to the float version of...
commit
|
commitdiff
|
tree
2012-05-25
Roland Schulz
Make load_vmd_library static
commit
|
commitdiff
|
tree
2012-05-25
Roland Schulz
Made all vmdio headers private
commit
|
commitdiff
|
tree
2012-05-25
Roland Schulz
Merge "fixed [dd] and [TT] typos in documentation of...
commit
|
commitdiff
|
tree
2012-05-25
David van der Spoel
Merge "grompp now retains the order of bonds converted...
commit
|
commitdiff
|
tree
2012-05-25
Szilárd Páll
Merge "Fix Clang 3.1 compile error"
commit
|
commitdiff
|
tree
2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
commit
|
commitdiff
|
tree
2012-05-24
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
commit
|
commitdiff
|
tree
2012-05-17
Teemu Murtola
Merge "Fixing more clang warnings" into release-4-6
commit
|
commitdiff
|
tree
2012-05-16
Roland Schulz
Merge "Merge 'origin/release-4-6' into master"
commit
|
commitdiff
|
tree
2012-05-15
Teemu Murtola
Merge "Membed code merge from release-4-6"
commit
|
commitdiff
|
tree
next