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Release 4.5.6
2013-01-19
Roland Schulz
Release 4.5.6
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2013-01-18
Roland Schulz
Fix reading of g96 title
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2013-01-17
Roland Schulz
Merge "Added check for valid wall_atomtype in .mdp...
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2013-01-07
Roland Schulz
Merge "Print out atom numbers in g_rmsf" into release...
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2012-11-24
Roland Schulz
Use stat for gmx_is_file. Fix get_libdir with symlinks.
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2012-11-20
Roland Schulz
Fix CXX/C mismatch of flag/macro for gmxCFlags
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2012-10-27
Roland Schulz
Set HAVE_FSEEKO consistently in one place
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2012-10-19
Roland Schulz
Fix large file support
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2012-10-17
Roland Schulz
Fixed Pulp Fiction quote
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2012-09-30
Roland Schulz
Fix problems found by cppcheck 1.56
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2012-09-13
Roland Schulz
Backport of md-vv rerun check from c7a82654f2eb8992
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2012-09-06
Roland Schulz
Merge "Fixed .g96 trajectory reading." into release...
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2012-09-02
Roland Schulz
Fix stack error in grompp
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2012-08-16
Roland Schulz
Fix coordinate is zero check in gmxcheck
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2012-08-04
Roland Schulz
Merge "Fixed segv in essential dynamics module" into...
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2012-08-03
Roland Schulz
Fix overlapping memcpy
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2012-07-10
Roland Schulz
Adding missing entries in programs.txt
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2012-06-14
Roland Schulz
Merge "Made mdrun more verbose about PME split" into...
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2012-06-01
Roland Schulz
Replace our fftpack version with Numpy's version
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2012-05-27
Roland Schulz
Fix editconf real-bool misusage
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2012-05-27
Roland Schulz
Fix Clang 3.1 warning
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2012-04-29
Roland Schulz
Don't enable ASM if no asm kernel is selected
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2012-04-27
Roland Schulz
Remove checks based on Generator
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2012-04-11
Roland Schulz
Fix that directory is not mistaken for binary
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2012-04-06
Roland Schulz
Fix domain decomposition setup for >46k cores
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2012-04-03
Roland Schulz
Merge "Fixes problems with g_msd and g_energy" into...
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2012-03-10
Roland Schulz
Fix typo in Clang CFlags
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2012-03-04
Roland Schulz
Minimal support for Clang
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2012-02-21
Roland Schulz
Use Git server (mirror) to avoid fetching problems
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2012-02-05
Roland Schulz
Fix ICC on Windows Build
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2012-01-31
Roland Schulz
Revert "Fix ICC on Windows Build"
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2012-01-31
Roland Schulz
Append all ICC Performance flags only to Release Flags
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2012-01-31
Roland Schulz
Fix signed/unsigned warnings
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2012-01-31
Roland Schulz
Fix ICC on Windows Build
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2012-01-25
Roland Schulz
Merge "New approach for GerritBuild script" into release...
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2012-01-18
Roland Schulz
New approach for GerritBuild script
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2011-12-27
Roland Schulz
Merge "Added -dhdl to tpr file list, fixes #855" into...
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2011-12-20
Roland Schulz
Merge "Using MinSizeRel configuration and Release target...
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2011-12-20
Roland Schulz
Merge changes Iaf4c56b7,Ibabed87f into release-4-5...
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2011-12-15
Roland Schulz
Using MinSizeRel configuration and Release target on...
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2011-12-15
Roland Schulz
Testing external BLAS/LAPACK
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2011-12-15
Roland Schulz
Using 2 cores per build on Windows
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2011-12-14
Roland Schulz
Merge "Re-fixed static linking of maths libraries under...
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2011-12-13
Roland Schulz
Merge "Relaxed some assumptions about trajectory times...
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2011-12-11
Roland Schulz
Merge "Set -DMPI only if compiled for FAH" into release...
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2011-12-11
Roland Schulz
Set -DMPI only if compiled for FAH
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2011-12-11
Roland Schulz
Fixing MSVC unsigned/signed warnings
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2011-12-10
Roland Schulz
Run tests also on Windows
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2011-12-09
Roland Schulz
Only check those atoms for PBC which are part of selection...
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2011-12-08
Roland Schulz
Merge "Fix selection parsing in double precision."...
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2011-12-08
Roland Schulz
Merge "Avoid possible warnings if HUGE_VAL != infinity...
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2011-12-03
Roland Schulz
Adding support for Windows build and different CMake...
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2011-11-30
Roland Schulz
Adding Gerrit Build description
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2011-11-30
Roland Schulz
Removing TestBuildAll test
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2011-11-28
Roland Schulz
Fix FFTW API usage
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2011-11-27
Roland Schulz
Merge "Initialize variables to make GCC 4.6 not complain...
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2011-11-24
Roland Schulz
Initialize variables to make GCC 4.6 not complain
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2011-11-24
Roland Schulz
Merge "Fixed g_angle -f -or to copy times from -f to...
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2011-10-14
Roland Schulz
call to gmx_mtop_generate_local_top is only required...
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2011-09-13
Roland Schulz
Merge "fixed grompp issue with decoupling and virtual...
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2011-08-23
Roland Schulz
Merge "Fixed g_disre dereferencing cr" into release...
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2011-08-23
Roland Schulz
Merge "Typo fix" into release-4-5-patches
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2011-08-23
Roland Schulz
Merge "fixed operation on closed file structure in...
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2011-08-23
Roland Schulz
Merge "fixed possible infinite loop when reading atom...
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2011-08-11
Roland Schulz
Merge "removed npmenodes mismatch warning in read_checkpoint...
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2011-08-10
Roland Schulz
Make sure that ftell works correctly for files opened...
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2011-05-15
Roland Schulz
corrected typo: if(errno=EINVAL)
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2011-02-04
Roland Schulz
using set_mm_ps to make pgi happy
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2010-11-08
Roland Schulz
making error message for vmdio clearer (bug 598)
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2010-11-04
Roland Schulz
print more information in case of lock error
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2010-10-13
Roland Schulz
make sure that the MANPATH is not set to only GMXMANPATH
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2010-10-11
Roland Schulz
fixed spelling
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2010-10-08
Roland Schulz
fixed locking of log file - broken by d750b9ce
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2010-10-07
Roland Schulz
added a comment about assumptions of aligned memory
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2010-10-04
Roland Schulz
fix broken check for dlopen (by Christoph Junghans...
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2010-10-01
Roland Schulz
fix FFTW3 interface for non aligned memory
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2010-09-30
Roland Schulz
made vmdio work with older api version (e.g. vmd 1...
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2010-09-27
Roland Schulz
include "error.h" was not neccessary and caused problems...
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2010-09-26
Roland Schulz
1) gmx_fio_seek was not returning correct return value...
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2010-09-23
Roland Schulz
vmdio read the box but didn't mark it as beeing read...
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2010-09-19
Roland Schulz
fixed box vector read in vmdio
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2010-08-26
Roland Schulz
Revert "Parenthesis around comparisons and no <= or...
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2010-08-27
Roland Schulz
fix logic to convert GMX_INTEGER_BIG_ENDIAN to ARCH_IS_BIG_E...
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2010-08-27
Roland Schulz
Parenthesis around comparisons and no <= or >= for xlc
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2010-08-17
Roland Schulz
Use always DIR_SEPARATOR
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2010-08-17
Roland Schulz
Fix two Windows futil bugs:
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2010-08-17
Roland Schulz
fixed spelling mistake introduced by 303d4543
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2010-08-06
Roland Schulz
Merge branch 'release-4-5-patches' of ssh://git.gromacs...
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2010-08-06
Roland Schulz
cleanup: GMX_CG_INNERLOOP isn't used anymore
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2010-08-01
Roland Schulz
include sys/types before regex for broken regex.h
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2010-08-01
Roland Schulz
fix spelling etc epc
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2010-08-01
Roland Schulz
added missing initialization
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2010-07-28
Roland Schulz
Added back HAVE_IO_H. Deleted by Erik's ac6f6dbf
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2010-07-03
Roland Schulz
runtime is only available on PP master (simmaster)...
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2010-07-02
Roland Schulz
intializing structs (to avoid valgrind error messages)
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2010-07-02
Roland Schulz
Initialize FFT data. So that Valgrind doesn't complain
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2010-05-11
Roland Schulz
undo (accidential) change to FFTW_PATIENT
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2010-05-11
Roland Schulz
using standard GMX names for real/complex
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2010-05-10
Roland Schulz
fixed return for gmx_fft_many_1d*
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2010-05-10
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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