biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Small fix to improve xpm2ps output
[alexxy/gromacs.git]
/
src
/
2011-02-15
Justin Lemkul
Small fix to improve xpm2ps output
tree
|
commitdiff
2011-02-13
Mark Abraham
Added workaround for F_GB13 duplicates
tree
|
commitdiff
2011-02-13
Mark Abraham
Fixed erroneous floating-point comparison
tree
|
commitdiff
2011-02-12
Mark Abraham
Added note about doing repeat invocations of genbox
tree
|
commitdiff
2011-02-11
Mark Abraham
Removed ancient CVS tag lines
tree
|
commitdiff
2011-02-11
Mark Abraham
Used some spacing to make code readable
tree
|
commitdiff
2011-02-11
Mark Abraham
Used symbolic constant more consistently
tree
|
commitdiff
2011-02-11
Mark Abraham
Made the "multiple settles" fatal error more helpful
tree
|
commitdiff
2011-02-10
Sander Pronk
Fixed a bug in g_energy -odh
tree
|
commitdiff
2011-02-04
Roland Schulz
using set_mm_ps to make pgi happy
tree
|
commitdiff
2011-02-03
Justin Lemkul
Fixed a typo.
tree
|
commitdiff
2011-02-02
Mark Abraham
Fixed minor issue with replica exchange
tree
|
commitdiff
2011-01-30
Erik Lindahl
Improved PBC handling for large molecules during cluste...
tree
|
commitdiff
2011-01-30
Erik Lindahl
Fixed the pbc cluster option of trjconv by switching...
tree
|
commitdiff
2011-01-29
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-01-29
David van der Spoel
Added code in g_nmeig to compute the quantum correction...
tree
|
commitdiff
2011-01-28
Mark Abraham
Added forgotten file
tree
|
commitdiff
2011-01-28
Mark Abraham
Turned g_options into a normal GROMACS tool
tree
|
commitdiff
2011-01-28
Mark Abraham
Renamed src/tools/options.c
tree
|
commitdiff
2011-01-28
Mark Abraham
Improved grompp documentation
tree
|
commitdiff
2011-01-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-01-25
Mark Abraham
Improved genion -h
tree
|
commitdiff
2011-01-25
Mark Abraham
Improved do_dssp -ssdump output
tree
|
commitdiff
2011-01-25
Mark Abraham
Improved do_dssp -sc output
tree
|
commitdiff
2011-01-24
Justin Lemkul
Various small changes to the man pages.
tree
|
commitdiff
2011-01-23
Justin Lemkul
Small fix for editconf related to formatting consistency.
tree
|
commitdiff
2011-01-23
Mark Abraham
Improved conversion of documentation to LaTeX
tree
|
commitdiff
2011-01-23
Mark Abraham
Improved consistency of text style usage
tree
|
commitdiff
2011-01-23
Mark Abraham
Minor wording fixes
tree
|
commitdiff
2011-01-23
Mark Abraham
Moved options.c to tools subdir
tree
|
commitdiff
2011-01-23
Mark Abraham
cmake: added back gsl support (GMX_GSL, disabled by...
tree
|
commitdiff
2011-01-22
David van der Spoel
Fixed bug 678 which was due to calling gmx_fatal withou...
tree
|
commitdiff
2011-01-21
Justin Lemkul
More minor formatting/editorial fixes for the manual.
tree
|
commitdiff
2011-01-20
Mark Abraham
Made gmxdump error message clearer.
tree
|
commitdiff
2011-01-19
Justin Lemkul
Fixes to g_wham documentation.
tree
|
commitdiff
2011-01-19
Justin Lemkul
Tons of tiny changes to documentation. Manual looks...
tree
|
commitdiff
2011-01-19
Justin Lemkul
Trivial fixes to program descriptions.
tree
|
commitdiff
2011-01-18
Mark Abraham
Improved .mdp file comment about the 'define' field
tree
|
commitdiff
2011-01-17
Justin Lemkul
Removed non-existent program and redundant information...
tree
|
commitdiff
2011-01-17
Berk Hess
fixed incorrect parameter declarations in gmx_fft_fftw2.c
tree
|
commitdiff
2011-01-14
Justin Lemkul
Fixes to grompp -maxwarn documentation. Issue ID #627
tree
|
commitdiff
2011-01-13
Mark Abraham
Made src/kernel/repl_ex.c legible
tree
|
commitdiff
2011-01-10
Berk Hess
fixed zero viscosity energy/log file output with cos_ac...
tree
|
commitdiff
2011-01-07
Mark Abraham
Added note that g_msd -mol does treat PBC (by making...
tree
|
commitdiff
2011-01-04
ckutzne
Fixed inconvenient output file names if -sep is used...
tree
|
commitdiff
2011-01-04
Berk Hess
fixed grompp looking for include files in double relati...
tree
|
commitdiff
2010-12-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2010-12-25
David van der Spoel
Added warning in g_dipoles
tree
|
commitdiff
2010-12-23
David van der Spoel
Fixed bug in statistics which did not allow fitting...
tree
|
commitdiff
2010-12-22
Berk Hess
removed incorrect citation print of Engin2010 for pull...
tree
|
commitdiff
2010-12-21
Berk Hess
pme.c work-around for MPI fatal error in pme with partt...
tree
|
commitdiff
2010-12-16
Berk Hess
fixed incorrect LJ table in mdrun with reppow!=12
tree
|
commitdiff
2010-12-16
Berk Hess
removed editconf warning on box distance with -bt
tree
|
commitdiff
2010-12-13
Berk Hess
fixed tpbconv time options leading to negative nsteps...
tree
|
commitdiff
2010-12-11
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-12-09
David van der Spoel
Added fatal error for when people use energy files...
tree
|
commitdiff
2010-12-06
Mark Abraham
Added comments and workaround for IBM's BlueGene(/L...
tree
|
commitdiff
2010-11-28
David van der Spoel
Fixed bugzilla 616 about formatting in the help text.
tree
|
commitdiff
2010-11-26
David van der Spoel
Fixed SEGV bug in g_sham.
tree
|
commitdiff
2010-11-24
Berk Hess
fixed segv in grompp due to gmxcpp not checking for...
tree
|
commitdiff
2010-11-22
Mark Abraham
Added a hint to the documentation for creating .tpr...
tree
|
commitdiff
2010-11-18
David van der Spoel
Made printing in check_multi_init conditional, dependin...
tree
|
commitdiff
2010-11-12
Mark Abraham
Minor trjconv documentation formatting fix
tree
|
commitdiff
2010-11-12
Mark Abraham
g_densmap -od writes a .dat file and prevents writing...
tree
|
commitdiff
2010-11-09
Berk Hess
added -resnr option to editconf
tree
|
commitdiff
2010-11-09
Berk Hess
fixed compiler warning in pdb2gmx.c
tree
|
commitdiff
2010-11-08
Roland Schulz
making error message for vmdio clearer (bug 598)
tree
|
commitdiff
2010-11-08
Rossen Apostolov
Added support for Altivec kernels on POWERPC.
tree
|
commitdiff
2010-11-08
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-11-07
Mark Abraham
Made mdrun exit with a fatal error for EM or NM with...
tree
|
commitdiff
2010-11-06
Mark Abraham
Fixed .xvg legends for g_sas options -or and -oa
tree
|
commitdiff
2010-11-05
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-11-05
Berk Hess
pdb2gmx now puts atoms with cgnr=-1 in separate charge...
tree
|
commitdiff
2010-11-04
Roland Schulz
print more information in case of lock error
tree
|
commitdiff
2010-11-04
Berk Hess
Fixed md.log being opened twice when appending, which...
tree
|
commitdiff
2010-11-04
hess
clarified GB parameter error messages in grompp
tree
|
commitdiff
2010-11-02
Berk Hess
fixed incorrect print in fatal error on charge group...
tree
|
commitdiff
2010-11-02
Berk Hess
proper defined of MAX_CHARGEGROUP_SIZE=32 in a single...
tree
|
commitdiff
2010-11-02
David van der Spoel
Fixed bug 608 by throwing a fatal error in grompp.
tree
|
commitdiff
2010-11-02
Sander Pronk
Fixed double precision energy file reading + box matrix...
tree
|
commitdiff
2010-10-30
Rossen Apostolov
For MPI builds, CMake will first try to compile a sampl...
tree
|
commitdiff
2010-10-30
Sander Pronk
Added Windows macro for snprintf.
tree
|
commitdiff
2010-10-29
Rossen Apostolov
added g_kinetics to the CMake build scripts
tree
|
commitdiff
2010-10-29
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-10-29
Carsten Kutzner
Fixed segv in gmx_hbond
tree
|
commitdiff
2010-10-29
Szilard Pall
fixed the default for OpenMM plugin dir location (bug...
tree
|
commitdiff
2010-10-29
Szilard Pall
fixed make install-mdrun issue (bug #605)
tree
|
commitdiff
2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-10-28
Per Larsson
Fixed a bug in the all-vs-all sse gb kernels, where...
tree
|
commitdiff
2010-10-28
Berk Hess
fixed pdb2gmx chain merging bug (bugzilla 544)
tree
|
commitdiff
2010-10-27
hess
changed fftw2_empty to fftw3_empty in gmx_fft_fftw3.c
tree
|
commitdiff
2010-10-26
Berk Hess
fixed cycle print type cast issue on certain platforms...
tree
|
commitdiff
2010-10-24
Mark Abraham
Don't sprintf variable-sized input into fixed-size...
tree
|
commitdiff
2010-10-22
Mark Abraham
Re-enabled for BlueGene/L an optimization in the BG...
tree
|
commitdiff
2010-10-22
Mark Abraham
Made GMX_POWERPC_INVSQRT work properly on Power6 and...
tree
|
commitdiff
2010-10-22
Carsten Kutzner
Fixed segv in g_potential. Field output has now also...
tree
|
commitdiff
2010-10-22
Per Larsson
Added a check in grompp for the case with particles...
tree
|
commitdiff
2010-10-21
Berk Hess
clarified make_ndx error message
tree
|
commitdiff
2010-10-20
Mark Abraham
Fixed cmake to work with BlueGene/L. This fix does...
tree
|
commitdiff
2010-10-20
Sander Pronk
file reading error messages in g_bar less confusing.
tree
|
commitdiff
next