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
2012-07-28
Christoph Junghans
Merge "Fix a few doxygen warnings."
commit
|
commitdiff
|
tree
|
snapshot
2012-07-28
Roland Schulz
Merge "Fix clang 3.2 warnings."
commit
|
commitdiff
|
tree
|
snapshot
2012-07-27
Teemu Murtola
Fix clang 3.2 warnings.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-27
Teemu Murtola
Fix a few doxygen warnings.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-26
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6' into...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-26
Christoph Junghans
Merge changes I33cd59e6,I8a2e539f
commit
|
commitdiff
|
tree
|
snapshot
2012-07-26
Roland Schulz
Fix that VMD version check was performed for binary...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-25
Roland Schulz
Merge "cmake: allow switch between single and double...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-25
Roland Schulz
Merge "fix a segfault in sse_mask_init" into release-4-6
commit
|
commitdiff
|
tree
|
snapshot
2012-07-24
Roland Schulz
Fix installation rules for man pages: don't install...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-24
Roland Schulz
Add default root folder to cpack archives
commit
|
commitdiff
|
tree
|
snapshot
2012-07-24
Teemu Murtola
Merge remote-tracking branch 'gerrit/release-4-6'
commit
|
commitdiff
|
tree
|
snapshot
2012-07-24
Mark Abraham
Clean up of environment variables
commit
|
commitdiff
|
tree
|
snapshot
2012-07-19
Christoph Junghans
cmake: allow switch between single and double
commit
|
commitdiff
|
tree
|
snapshot
2012-07-17
Berk Hess
fix a segfault in sse_mask_init
commit
|
commitdiff
|
tree
|
snapshot
2012-07-16
Christoph Junghans
Merge "Removed commas from gmx_hbond OpenMP constructs...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
commit
|
commitdiff
|
tree
|
snapshot
2012-07-15
Teemu Murtola
Draft support for multiple help output formats.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-15
Roland Schulz
Take first description if programs.txt has more than...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-15
David van der...
Merge "Autogenerate gromacs.7 from programs.txt" into...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-15
Roland Schulz
Adding missing entries in programs.txt
commit
|
commitdiff
|
tree
|
snapshot
2012-07-15
Teemu Murtola
Removed commas from gmx_hbond OpenMP constructs.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
commit
|
commitdiff
|
tree
|
snapshot
2012-07-12
Jochen Hub
Flat-bottomed position restraints
commit
|
commitdiff
|
tree
|
snapshot
2012-07-11
Teemu Murtola
Improve option initialization in traj. analysis.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-10
Jochen Hub
Extended g_wham to allow the selection of the pull...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-10
Roland Schulz
Adding missing entries in programs.txt
commit
|
commitdiff
|
tree
|
snapshot
2012-07-10
Roland Schulz
Use relative rpath to support relocatable binary packages
commit
|
commitdiff
|
tree
|
snapshot
2012-07-10
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6' into...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-10
Roland Schulz
Allow usage of relative install paths
commit
|
commitdiff
|
tree
|
snapshot
2012-07-09
Christoph Junghans
Merge "Fixed bug in sfactor.c that makes g_rdf -sq...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-09
Jochen Hub
Fixed bug in sfactor.c that makes g_rdf -sq give wrong...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-09
Teemu Murtola
Fix memory error with complex boolean selections.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-08
Teemu Murtola
Extension completion for FileNameOption.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-07
Roland Schulz
Autogenerate gromacs.7 from programs.txt
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Carsten Kutzner
Enforced rotation: PBC/restart fix
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Teemu Murtola
Better invalid option value handling.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Roland Schulz
Merge "Remove remaining underscore-prefixed C++ symbols."
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Roland Schulz
Merge "Set common output directory for binaries"
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Teemu Murtola
Remove remaining underscore-prefixed C++ symbols.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Erik Marklund
Bugfix for the segfault that occurs with g_hbond -hbm...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Teemu Murtola
Merge "Test framework for TrajectoryAnalysisModules."
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Teemu Murtola
Test framework for TrajectoryAnalysisModules.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Roland Schulz
Adding FFT Unit Tests
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Roland Schulz
Don't prevent GMX_PREFER_STATIC_LIBS with BUILD_SHARED_LIBS
commit
|
commitdiff
|
tree
|
snapshot
2012-07-06
Roland Schulz
Set common output directory for binaries
commit
|
commitdiff
|
tree
|
snapshot
2012-07-05
Christoph Junghans
Merge "Extract doxygen documentation for static symbols."
commit
|
commitdiff
|
tree
|
snapshot
2012-07-05
Roland Schulz
Build man-pages instead of distributing them in the...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-05
David van der...
Merge "Improve ProgramInfo and use it everywhere."
commit
|
commitdiff
|
tree
|
snapshot
2012-07-05
Teemu Murtola
Extract doxygen documentation for static symbols.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-05
Christoph Junghans
Merge "Fix most doxygen warnings."
commit
|
commitdiff
|
tree
|
snapshot
2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-05
Christoph Junghans
Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6
commit
|
commitdiff
|
tree
|
snapshot
2012-07-05
Christoph Junghans
Merge "Finalized and extended Szilard's openMP cleanup...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-05
Roland Schulz
Don't rerun checks and be quiet 2nd time cmake is run
commit
|
commitdiff
|
tree
|
snapshot
2012-07-04
Erik Marklund
Finalized and extended Szilard's openMP cleanup of...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-04
Roland Schulz
Merge "Add FindGROMACS.cmake to template's CMakeLists...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-04
Roland Schulz
Merge "Fixed bug in free energy calculation for Morse...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-04
Roland Schulz
Remove unused FFT functions
commit
|
commitdiff
|
tree
|
snapshot
2012-07-04
Teemu Murtola
Fix most doxygen warnings.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-04
Roland Schulz
Fixes for FFT libraries
commit
|
commitdiff
|
tree
|
snapshot
2012-07-04
Berk Hess
set default for rcoulomb, rvdw and rlist to -1
commit
|
commitdiff
|
tree
|
snapshot
2012-07-03
Teemu Murtola
Improve ProgramInfo and use it everywhere.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-03
Teemu Murtola
Error/exception handling improvements.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-03
Teemu Murtola
Always build thread_mpi threading into libgromacs.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-03
Elton Carvalho
Fixed L-BFGS trajectory output.
commit
|
commitdiff
|
tree
|
snapshot
2012-07-03
Szilárd Páll
Merge "Minor formatting and consistency changes to...
commit
|
commitdiff
|
tree
|
snapshot
2012-07-02
Christoph Junghans
Do not print disabled pressures and virials
commit
|
commitdiff
|
tree
|
snapshot
2012-06-30
David van der...
Fixed bug in free energy calculation for Morse potentials
commit
|
commitdiff
|
tree
|
snapshot
2012-06-29
Christoph Junghans
Add FindGROMACS.cmake to template's CMakeLists.txt
commit
|
commitdiff
|
tree
|
snapshot
2012-06-29
Michael Shirts
Minor formatting and consistency changes to txtdump.c
commit
|
commitdiff
|
tree
|
snapshot
2012-06-29
Michael Shirts
Corrected checkpoint version issues with free energy...
commit
|
commitdiff
|
tree
|
snapshot
2012-06-29
Sebastian Fritsch
Merge "Fixed adress kernel for double precision" into...
commit
|
commitdiff
|
tree
|
snapshot
2012-06-28
Christoph Junghans
Fixed adress kernel for double precision
commit
|
commitdiff
|
tree
|
snapshot
2012-06-28
Roland Schulz
Allow also FindMPI for cmake<2.8.5
commit
|
commitdiff
|
tree
|
snapshot
2012-06-28
Christoph Junghans
Merge "Fix MPI build for MPI library without mpi wrappe...
commit
|
commitdiff
|
tree
|
snapshot
2012-06-28
Teemu Murtola
Remove more underscore-prefixed C++ symbols.
commit
|
commitdiff
|
tree
|
snapshot
2012-06-28
Roland Schulz
Fix MPI build for MPI library without mpi wrapper
commit
|
commitdiff
|
tree
|
snapshot
2012-06-27
Szilard Pall
fixes typo gmx_omp introduced by 697bcdc
commit
|
commitdiff
|
tree
|
snapshot
2012-06-27
Christoph Junghans
Merge "Make C++11 test quiet after the first cmake...
commit
|
commitdiff
|
tree
|
snapshot
2012-06-27
Christoph Junghans
Merge "Use VERSION_LESS in the version detection code."
commit
|
commitdiff
|
tree
|
snapshot
2012-06-27
Teemu Murtola
Use VERSION_LESS in the version detection code.
commit
|
commitdiff
|
tree
|
snapshot
2012-06-27
Roland Schulz
Fix for boost version check added by 6b4c9bc
commit
|
commitdiff
|
tree
|
snapshot
2012-06-26
Teemu Murtola
Update CPack package version.
commit
|
commitdiff
|
tree
|
snapshot
2012-06-26
Teemu Murtola
Make C++11 test quiet after the first cmake run.
commit
|
commitdiff
|
tree
|
snapshot
2012-06-26
Roland Schulz
Merge "Make sure that found Boost version is new enough"
commit
|
commitdiff
|
tree
|
snapshot
2012-06-26
Roland Schulz
Fix that rerunning cmake gives the same result as 1st run
commit
|
commitdiff
|
tree
|
snapshot
2012-06-26
Teemu Murtola
Merge "Merge remote-tracking branch 'origin/release...
commit
|
commitdiff
|
tree
|
snapshot
2012-06-26
Roland Schulz
Make sure that found Boost version is new enough
commit
|
commitdiff
|
tree
|
snapshot
2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
commit
|
commitdiff
|
tree
|
snapshot
2012-06-26
Christoph Junghans
Merge "Merge remote-tracking branch 'gerrit/release...
commit
|
commitdiff
|
tree
|
snapshot
2012-06-25
Szilard Pall
introduce gmx_omp wrapper for the OpenMP API
commit
|
commitdiff
|
tree
|
snapshot
2012-06-25
Berk Hess
fixed segv/hang with EM and foreign lambda values
commit
|
commitdiff
|
tree
|
snapshot
2012-06-25
Berk Hess
added check for log fp!=NULL when disabling acceleration
commit
|
commitdiff
|
tree
|
snapshot
2012-06-24
Christoph Junghans
Merge "Remove MPI define for FAH" into release-4-6
commit
|
commitdiff
|
tree
|
snapshot
2012-06-24
Roland Schulz
Merge remote-tracking branch 'origin/release-4-6'
commit
|
commitdiff
|
tree
|
snapshot
2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
commit
|
commitdiff
|
tree
|
snapshot
2012-06-24
Teemu Murtola
Merge remote-tracking branch 'gerrit/release-4-6'
commit
|
commitdiff
|
tree
|
snapshot
2012-06-24
Roland Schulz
Fix mdp_opt formatting of expanded ensemble
commit
|
commitdiff
|
tree
|
snapshot
2012-06-24
Roland Schulz
Remove MPI define for FAH
commit
|
commitdiff
|
tree
|
snapshot
next