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 "Added an option to easily compile contrib programs with cmake" into release-4-6
2011-12-08
Roland Schulz
Merge "Added an option to easily compile contrib programs...
commit
|
commitdiff
|
tree
2011-12-03
Roland Schulz
Remove RETSIGTYPE. C89 defines return value to be void.
commit
|
commitdiff
|
tree
2011-12-03
Roland Schulz
Adding support for Windows build and different CMake...
commit
|
commitdiff
|
tree
2011-11-30
Roland Schulz
Adding Gerrit Build description
commit
|
commitdiff
|
tree
2011-11-30
Roland Schulz
Merge "Merge remote-tracking branch 'gerrit/release...
commit
|
commitdiff
|
tree
2011-11-27
Roland Schulz
Merge "Fixes inconsistent spelling of Git cmake variables...
commit
|
commitdiff
|
tree
2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patches...
commit
|
commitdiff
|
tree
2011-11-27
Roland Schulz
Merge "Replace '_' in all mdp options to '-'" into...
commit
|
commitdiff
|
tree
2011-11-27
Roland Schulz
Merge "Cleaning up some bad coding practices" into...
commit
|
commitdiff
|
tree
2011-11-27
Roland Schulz
Merge "Initialize variables to make GCC 4.6 not complain...
commit
|
commitdiff
|
tree
2011-11-27
Roland Schulz
Removing TestBuildAll test
commit
|
commitdiff
|
tree
2011-11-27
Roland Schulz
Merge "Added support for submission to cdash servers...
commit
|
commitdiff
|
tree
2011-11-25
Roland Schulz
Merge "Changed cryptic variable names" into release-4-6
commit
|
commitdiff
|
tree
2011-11-25
Roland Schulz
Cleaning up some bad coding practices
commit
|
commitdiff
|
tree
2011-11-25
Roland Schulz
Fixes inconsistent spelling of Git cmake variables
commit
|
commitdiff
|
tree
2011-11-24
Roland Schulz
Initialize variables to make GCC 4.6 not complain
commit
|
commitdiff
|
tree
2011-11-24
Roland Schulz
Merge "Fixed g_angle -f -or to copy times from -f to...
commit
|
commitdiff
|
tree
2011-11-23
Roland Schulz
Added an option to easily compile contrib programs...
commit
|
commitdiff
|
tree
2011-10-14
Roland Schulz
call to gmx_mtop_generate_local_top is only required...
commit
|
commitdiff
|
tree
2011-10-11
Roland Schulz
Fixes MPI_GROUP_EMPTY for tMPI
commit
|
commitdiff
|
tree
2011-10-05
Roland Schulz
Only create group if part of load communicator and...
commit
|
commitdiff
|
tree
2011-09-13
Roland Schulz
Merge "fixed grompp issue with decoupling and virtual...
commit
|
commitdiff
|
tree
2011-08-23
Roland Schulz
Merge "Fixed g_disre dereferencing cr" into release...
commit
|
commitdiff
|
tree
2011-08-23
Roland Schulz
Merge "Typo fix" into release-4-5-patches
commit
|
commitdiff
|
tree
2011-08-23
Roland Schulz
Merge "fixed operation on closed file structure in...
commit
|
commitdiff
|
tree
2011-08-23
Roland Schulz
Merge "fixed possible infinite loop when reading atom...
commit
|
commitdiff
|
tree
2011-08-11
Roland Schulz
Merge "removed npmenodes mismatch warning in read_checkpoint...
commit
|
commitdiff
|
tree
2011-08-10
Roland Schulz
Make sure that ftell works correctly for files opened...
commit
|
commitdiff
|
tree
2011-05-15
Roland Schulz
corrected typo: if(errno=EINVAL)
commit
|
commitdiff
|
tree
2011-02-04
Roland Schulz
using set_mm_ps to make pgi happy
commit
|
commitdiff
|
tree
2010-11-08
Roland Schulz
making error message for vmdio clearer (bug 598)
commit
|
commitdiff
|
tree
2010-11-04
Roland Schulz
print more information in case of lock error
commit
|
commitdiff
|
tree
2010-10-13
Roland Schulz
make sure that the MANPATH is not set to only GMXMANPATH
commit
|
commitdiff
|
tree
2010-10-11
Roland Schulz
fixed spelling
commit
|
commitdiff
|
tree
2010-10-08
Roland Schulz
fixed locking of log file - broken by d750b9ce
commit
|
commitdiff
|
tree
2010-10-07
Roland Schulz
added a comment about assumptions of aligned memory
commit
|
commitdiff
|
tree
2010-10-04
Roland Schulz
fix broken check for dlopen (by Christoph Junghans...
commit
|
commitdiff
|
tree
2010-10-01
Roland Schulz
fix FFTW3 interface for non aligned memory
commit
|
commitdiff
|
tree
2010-09-30
Roland Schulz
made vmdio work with older api version (e.g. vmd 1...
commit
|
commitdiff
|
tree
2010-09-27
Roland Schulz
include "error.h" was not neccessary and caused problems...
commit
|
commitdiff
|
tree
2010-09-26
Roland Schulz
1) gmx_fio_seek was not returning correct return value...
commit
|
commitdiff
|
tree
2010-09-23
Roland Schulz
vmdio read the box but didn't mark it as beeing read...
commit
|
commitdiff
|
tree
2010-09-19
Roland Schulz
fixed box vector read in vmdio
commit
|
commitdiff
|
tree
2010-08-26
Roland Schulz
Revert "Parenthesis around comparisons and no <= or...
commit
|
commitdiff
|
tree
2010-08-27
Roland Schulz
fix logic to convert GMX_INTEGER_BIG_ENDIAN to ARCH_IS_BIG_E...
commit
|
commitdiff
|
tree
2010-08-27
Roland Schulz
Parenthesis around comparisons and no <= or >= for xlc
commit
|
commitdiff
|
tree
2010-08-17
Roland Schulz
Use always DIR_SEPARATOR
commit
|
commitdiff
|
tree
2010-08-17
Roland Schulz
Fix two Windows futil bugs:
commit
|
commitdiff
|
tree
2010-08-17
Roland Schulz
fixed spelling mistake introduced by 303d4543
commit
|
commitdiff
|
tree
2010-08-06
Roland Schulz
Merge branch 'release-4-5-patches' of ssh://git.gromacs...
commit
|
commitdiff
|
tree
2010-08-06
Roland Schulz
cleanup: GMX_CG_INNERLOOP isn't used anymore
commit
|
commitdiff
|
tree
2010-08-01
Roland Schulz
include sys/types before regex for broken regex.h
commit
|
commitdiff
|
tree
2010-08-01
Roland Schulz
fix spelling etc epc
commit
|
commitdiff
|
tree
2010-08-01
Roland Schulz
added missing initialization
commit
|
commitdiff
|
tree
2010-07-28
Roland Schulz
Added back HAVE_IO_H. Deleted by Erik's ac6f6dbf
commit
|
commitdiff
|
tree
2010-07-03
Roland Schulz
runtime is only available on PP master (simmaster)...
commit
|
commitdiff
|
tree
2010-07-02
Roland Schulz
intializing structs (to avoid valgrind error messages)
commit
|
commitdiff
|
tree
2010-07-02
Roland Schulz
Initialize FFT data. So that Valgrind doesn't complain
commit
|
commitdiff
|
tree
2010-05-11
Roland Schulz
undo (accidential) change to FFTW_PATIENT
commit
|
commitdiff
|
tree
2010-05-11
Roland Schulz
using standard GMX names for real/complex
commit
|
commitdiff
|
tree
2010-05-10
Roland Schulz
fixed return for gmx_fft_many_1d*
commit
|
commitdiff
|
tree
2010-05-10
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
commit
|
commitdiff
|
tree
2010-05-10
Roland Schulz
ignore Eclipse project files
commit
|
commitdiff
|
tree
2010-05-10
Roland Schulz
always define MPI_Comm, MPI_Request, MPI_Group to avoid...
commit
|
commitdiff
|
tree
2010-04-06
Roland Schulz
use gmx_alloc_aligned for fft data
commit
|
commitdiff
|
tree
2010-03-16
Roland Schulz
Compiles now in serial
commit
|
commitdiff
|
tree
2010-03-16
Roland Schulz
+ Removed all FFTW dependencies of FFT5D
commit
|
commitdiff
|
tree
2010-03-16
Roland Schulz
calling gmx_fft for 1D FFTs instead of directly calling...
commit
|
commitdiff
|
tree
2010-03-15
Roland Schulz
directly call fftw for serial case
commit
|
commitdiff
|
tree
2010-03-15
Roland Schulz
removed memcpy for both no-MPI and 1D decomposition
commit
|
commitdiff
|
tree
2010-03-08
Roland Schulz
c++ fixes
commit
|
commitdiff
|
tree
2010-03-08
Roland Schulz
checking whether dlopen is working with static library...
commit
|
commitdiff
|
tree
2010-03-07
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
commit
|
commitdiff
|
tree
2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
commit
|
commitdiff
|
tree
2010-02-25
Roland Schulz
error message for -fit rot+trans -pbc
commit
|
commitdiff
|
tree
2010-02-25
Roland Schulz
error message for -fit rot+trans -pbc
commit
|
commitdiff
|
tree
2010-02-08
Roland Schulz
fix to FLT_EPSILON
commit
|
commitdiff
|
tree
2010-02-08
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
commit
|
commitdiff
|
tree
2010-02-08
Roland Schulz
fixed C89 erros, FLT_EPSILON (thanks Peter)
commit
|
commitdiff
|
tree
2010-01-18
Roland Schulz
corrected: opening binary file with rb+ instead of r+
commit
|
commitdiff
|
tree
2010-01-17
Roland Schulz
small fix for using with fftw transpose
commit
|
commitdiff
|
tree
2010-01-14
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
commit
|
commitdiff
|
tree
2010-01-14
Roland Schulz
updated comments
commit
|
commitdiff
|
tree
2010-01-14
Roland Schulz
reduced communication and FFT to amount required
commit
|
commitdiff
|
tree
2010-01-13
Roland Schulz
Merge branch 'tmp' into 2dpme
commit
|
commitdiff
|
tree
2010-01-13
Roland Schulz
improved debugging output
commit
|
commitdiff
|
tree
2010-01-12
Roland Schulz
updated a comment to reflect a earlier change
commit
|
commitdiff
|
tree
2010-01-07
Roland Schulz
fixed a bug in fft5d only effecting external test programs
commit
|
commitdiff
|
tree
2010-01-07
Roland Schulz
made evendist compile time option also in fft5d
commit
|
commitdiff
|
tree
2010-01-07
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
commit
|
commitdiff
|
tree
2010-01-05
Roland Schulz
equally distribute grid lines if not divisable
commit
|
commitdiff
|
tree
2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
commit
|
commitdiff
|
tree
2009-12-30
Roland Schulz
made fft5d compile outside of GROMACS again
commit
|
commitdiff
|
tree
2009-12-16
Roland Schulz
Merge commit 'origin/master' into 2dpme
commit
|
commitdiff
|
tree
2009-12-16
Roland Schulz
Added CMake code to enable option of building "old...
commit
|
commitdiff
|
tree
2009-12-15
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
commit
|
commitdiff
|
tree
2009-12-15
Roland Schulz
Restored 4?? x86_64_sse kernels (needed for FAH). Instead...
commit
|
commitdiff
|
tree
2009-12-11
Roland Schulz
Added CMake code to enable option of building "old...
commit
|
commitdiff
|
tree
2009-12-11
Roland Schulz
compiling with mpi and c++ -> set CXX to MPICC (as...
commit
|
commitdiff
|
tree
2009-12-01
Roland Schulz
union instead of two pointers to same address (brakes...
commit
|
commitdiff
|
tree
next