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 "[tools] g_sans - add trajectory avereging"
2012-10-12
David van der Spoel
Merge "[tools] g_sans - add trajectory avereging"
commit
|
commitdiff
|
tree
2012-10-04
Teemu Murtola
Unit tests for insolidangle selections.
commit
|
commitdiff
|
tree
2012-10-04
Roland Schulz
Merge "Add occupied fraction and PDB output to g_ana...
commit
|
commitdiff
|
tree
2012-10-04
Kasson
Merge "Update valgrind suppressions after mem leak...
commit
|
commitdiff
|
tree
2012-10-04
Kasson
Merge "Support C++11 <regex> as alternative to POSIX...
commit
|
commitdiff
|
tree
2012-10-04
Kasson
Merge "Encapsulate regexp use in selections."
commit
|
commitdiff
|
tree
2012-10-04
Teemu Murtola
Add occupied fraction and PDB output to g_ana select.
commit
|
commitdiff
|
tree
2012-10-04
Teemu Murtola
Update valgrind suppressions after mem leak fixes.
commit
|
commitdiff
|
tree
2012-10-04
Teemu Murtola
Support C++11 <regex> as alternative to POSIX regex.h.
commit
|
commitdiff
|
tree
2012-10-04
Teemu Murtola
Encapsulate regexp use in selections.
commit
|
commitdiff
|
tree
2012-10-03
Teemu Murtola
More selection unit tests for variables and fixes.
commit
|
commitdiff
|
tree
2012-10-02
Christoph Junghans
Merge "Merge release-4-6 into master"
commit
|
commitdiff
|
tree
2012-09-27
Christoph Junghans
Merge "Fixed an off-by-one error in atom counting in...
commit
|
commitdiff
|
tree
2012-09-27
Teemu Murtola
Merge "Fix insolidangle selections near poles." into...
commit
|
commitdiff
|
tree
2012-09-25
Teemu Murtola
Fix a few memory leaks in C++ code.
commit
|
commitdiff
|
tree
2012-09-25
Teemu Murtola
Fine-tuning for FileNameOption.
commit
|
commitdiff
|
tree
2012-09-25
Christoph Junghans
Merge "Fix REMD use of gmx_large_int_t for #steps variable...
commit
|
commitdiff
|
tree
2012-09-24
Kasson
Merge "Fixed segfault with FE code for older tpr files...
commit
|
commitdiff
|
tree
2012-09-15
Kasson
Merge "Fix some memory leaks." into release-4-5-patches
commit
|
commitdiff
|
tree
2012-09-15
David van der Spoel
Merge "Adapted NMR related data to new pdb format....
commit
|
commitdiff
|
tree
2012-09-14
Christoph Junghans
Merge "fixed recent bug with grompp check for P-R P...
commit
|
commitdiff
|
tree
2012-09-12
Mark Abraham
Merge "Don't fail linking if man page building fails...
commit
|
commitdiff
|
tree
2012-09-10
Teemu Murtola
Merge *optioninfo.h to *option.h.
commit
|
commitdiff
|
tree
2012-09-10
Christoph Junghans
Merge "Allow 'atomname' and 'atomtype' in selections."
commit
|
commitdiff
|
tree
2012-09-10
Roland Schulz
Merge "Update use of CPack components and add install...
commit
|
commitdiff
|
tree
2012-09-07
Christoph Junghans
Merge "Fix VMD plugins on Windows" into release-4-6
commit
|
commitdiff
|
tree
2012-09-07
Christoph Junghans
Merge "Check that gmx_detectcpu runs correctly" into...
commit
|
commitdiff
|
tree
2012-09-06
Roland Schulz
Merge "Fixed .g96 trajectory reading." into release...
commit
|
commitdiff
|
tree
2012-09-04
Christoph Junghans
Merge "Fixes too many backup files for *.nroff files...
commit
|
commitdiff
|
tree
2012-09-04
Christoph Junghans
Merge "Reorganize CommandLineHelpWriter implementation."
commit
|
commitdiff
|
tree
2012-09-04
Christoph Junghans
Merge "Fix SelectionParserParameter move constructor...
commit
|
commitdiff
|
tree
2012-09-03
Kasson
Merge "Document correct comm_mode option" into release...
commit
|
commitdiff
|
tree
2012-09-03
Kasson
Merge "Improved pdb2gmx output" into release-4-5-patches
commit
|
commitdiff
|
tree
2012-08-20
Christoph Junghans
Merge "Fixing of things associated with aminoacid.rtp...
commit
|
commitdiff
|
tree
2012-08-20
Christoph Junghans
Merge "Clean up some variable naming for eigensolving...
commit
|
commitdiff
|
tree
2012-08-20
Christoph Junghans
Merge "Fix coordinate is zero check in gmxcheck" into...
commit
|
commitdiff
|
tree
2012-08-20
Christoph Junghans
Merge "Explicitly noted an issue with use of genbox...
commit
|
commitdiff
|
tree
2012-08-18
Roland Schulz
Merge "fix AdResS and long-range electrostatics warning...
commit
|
commitdiff
|
tree
2012-08-11
Mark Abraham
Clean up some variable naming for eigensolving
commit
|
commitdiff
|
tree
2012-08-11
Roland Schulz
Make GCC OpenMP libraries static if GMX_PREFER_STATIC_OPENMP
commit
|
commitdiff
|
tree
2012-08-11
Roland Schulz
Guarantee OpenMP flags for linker and make them user...
commit
|
commitdiff
|
tree
2012-08-07
Christoph Junghans
Merge "fixed incorrect TPI results with dynamic box...
commit
|
commitdiff
|
tree
2012-08-06
Christoph Junghans
Merge "Clarify TestFileManager naming and comments."
commit
|
commitdiff
|
tree
2012-08-06
Christoph Junghans
Merge "Added comment in get_structure about which structures...
commit
|
commitdiff
|
tree
2012-08-04
Roland Schulz
Merge "Fixed segv in essential dynamics module" into...
commit
|
commitdiff
|
tree
2012-07-31
Christoph Junghans
Merge "Clarified reasons for termination of EM" into...
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
next