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More minor formatting/editorial fixes for the manual.
[alexxy/gromacs.git] / src /
2011-01-21 Justin LemkulMore minor formatting/editorial fixes for the manual. tree | commitdiff
2011-01-20 Mark AbrahamMade gmxdump error message clearer. tree | commitdiff
2011-01-19 Justin LemkulFixes to g_wham documentation. tree | commitdiff
2011-01-19 Justin LemkulTons of tiny changes to documentation. Manual looks... tree | commitdiff
2011-01-19 Justin LemkulTrivial fixes to program descriptions. tree | commitdiff
2011-01-18 Mark AbrahamImproved .mdp file comment about the 'define' field tree | commitdiff
2011-01-17 Justin LemkulRemoved non-existent program and redundant information... tree | commitdiff
2011-01-17 Berk Hessfixed incorrect parameter declarations in gmx_fft_fftw2.c tree | commitdiff
2011-01-14 Justin LemkulFixes to grompp -maxwarn documentation. Issue ID #627 tree | commitdiff
2011-01-13 Mark AbrahamMade src/kernel/repl_ex.c legible tree | commitdiff
2011-01-10 Berk Hessfixed zero viscosity energy/log file output with cos_ac... tree | commitdiff
2011-01-07 Mark AbrahamAdded note that g_msd -mol does treat PBC (by making... tree | commitdiff
2011-01-04 ckutzneFixed inconvenient output file names if -sep is used... tree | commitdiff
2011-01-04 Berk Hessfixed grompp looking for include files in double relati... tree | commitdiff
2010-12-23 David van der SpoelFixed bug in statistics which did not allow fitting... tree | commitdiff
2010-12-22 Berk Hessremoved incorrect citation print of Engin2010 for pull... tree | commitdiff
2010-12-21 Berk Hesspme.c work-around for MPI fatal error in pme with partt... tree | commitdiff
2010-12-16 Berk Hessfixed incorrect LJ table in mdrun with reppow!=12 tree | commitdiff
2010-12-16 Berk Hessremoved editconf warning on box distance with -bt tree | commitdiff
2010-12-13 Berk Hessfixed tpbconv time options leading to negative nsteps... tree | commitdiff
2010-12-11 David van der SpoelMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-12-09 David van der SpoelAdded fatal error for when people use energy files... tree | commitdiff
2010-12-06 Mark AbrahamAdded comments and workaround for IBM's BlueGene(/L... tree | commitdiff
2010-11-28 David van der SpoelFixed bugzilla 616 about formatting in the help text. tree | commitdiff
2010-11-26 David van der SpoelFixed SEGV bug in g_sham. tree | commitdiff
2010-11-24 Berk Hessfixed segv in grompp due to gmxcpp not checking for... tree | commitdiff
2010-11-22 Mark AbrahamAdded a hint to the documentation for creating .tpr... tree | commitdiff
2010-11-18 David van der SpoelMade printing in check_multi_init conditional, dependin... tree | commitdiff
2010-11-12 Mark AbrahamMinor trjconv documentation formatting fix tree | commitdiff
2010-11-12 Mark Abrahamg_densmap -od writes a .dat file and prevents writing... tree | commitdiff
2010-11-09 Berk Hessadded -resnr option to editconf tree | commitdiff
2010-11-09 Berk Hessfixed compiler warning in pdb2gmx.c tree | commitdiff
2010-11-08 Roland Schulzmaking error message for vmdio clearer (bug 598) tree | commitdiff
2010-11-08 Rossen ApostolovAdded support for Altivec kernels on POWERPC. tree | commitdiff
2010-11-08 Szilard PallMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-11-07 Mark AbrahamMade mdrun exit with a fatal error for EM or NM with... tree | commitdiff
2010-11-06 Mark AbrahamFixed .xvg legends for g_sas options -or and -oa tree | commitdiff
2010-11-05 Szilard PallMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-11-05 Berk Hesspdb2gmx now puts atoms with cgnr=-1 in separate charge... tree | commitdiff
2010-11-04 Roland Schulzprint more information in case of lock error tree | commitdiff
2010-11-04 Berk HessFixed md.log being opened twice when appending, which... tree | commitdiff
2010-11-04 hessclarified GB parameter error messages in grompp tree | commitdiff
2010-11-02 Berk Hessfixed incorrect print in fatal error on charge group... tree | commitdiff
2010-11-02 Berk Hessproper defined of MAX_CHARGEGROUP_SIZE=32 in a single... tree | commitdiff
2010-11-02 David van der SpoelFixed bug 608 by throwing a fatal error in grompp. tree | commitdiff
2010-11-02 Sander PronkFixed double precision energy file reading + box matrix... tree | commitdiff
2010-10-30 Rossen ApostolovFor MPI builds, CMake will first try to compile a sampl... tree | commitdiff
2010-10-30 Sander PronkAdded Windows macro for snprintf. tree | commitdiff
2010-10-29 Rossen Apostolovadded g_kinetics to the CMake build scripts tree | commitdiff
2010-10-29 Szilard PallMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-10-29 Carsten KutznerFixed segv in gmx_hbond tree | commitdiff
2010-10-29 Szilard Pallfixed the default for OpenMM plugin dir location (bug... tree | commitdiff
2010-10-29 Szilard Pallfixed make install-mdrun issue (bug #605) tree | commitdiff
2010-10-28 David van der SpoelMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-10-28 Per LarssonFixed a bug in the all-vs-all sse gb kernels, where... tree | commitdiff
2010-10-28 Berk Hessfixed pdb2gmx chain merging bug (bugzilla 544) tree | commitdiff
2010-10-27 hesschanged fftw2_empty to fftw3_empty in gmx_fft_fftw3.c tree | commitdiff
2010-10-26 Berk Hessfixed cycle print type cast issue on certain platforms... tree | commitdiff
2010-10-24 Mark AbrahamDon't sprintf variable-sized input into fixed-size... tree | commitdiff
2010-10-22 Mark AbrahamRe-enabled for BlueGene/L an optimization in the BG... tree | commitdiff
2010-10-22 Mark AbrahamMade GMX_POWERPC_INVSQRT work properly on Power6 and... tree | commitdiff
2010-10-22 Carsten KutznerFixed segv in g_potential. Field output has now also... tree | commitdiff
2010-10-22 Per LarssonAdded a check in grompp for the case with particles... tree | commitdiff
2010-10-21 Berk Hessclarified make_ndx error message tree | commitdiff
2010-10-20 Mark AbrahamFixed cmake to work with BlueGene/L. This fix does... tree | commitdiff
2010-10-20 Sander Pronkfile reading error messages in g_bar less confusing. tree | commitdiff
2010-10-20 Per LarssonRemoved code for calculating logarithms using a table tree | commitdiff
2010-10-19 Berk Hesschanged enxio warning into fatal errors by default... tree | commitdiff
2010-10-19 Per LarssonFixed a compiler warning introduced by commit 9ccc786e4... tree | commitdiff
2010-10-18 Per LarssonDouble precision GB energies are now summed corrently... tree | commitdiff
2010-10-18 Sander PronkTries recovery during errors in .edr files. tree | commitdiff
2010-10-18 Sander PronkBetter time checks in .edrs wihtout version numbers. tree | commitdiff
2010-10-18 Sander PronkMore stringent .edr file data checks. tree | commitdiff
2010-10-18 Teemu MurtolaUse CMake install for install-mdrun (bugs #549, #555) tree | commitdiff
2010-10-18 Berk Hessfixed possible overflow of unused variable in lincs tree | commitdiff
2010-10-18 Berk Hessadded checks for rare events that would make variables... tree | commitdiff
2010-10-15 Berk Hessmore fixes for TPI with PME, now really fixed bugzilla 590 tree | commitdiff
2010-10-13 Berk Hessfixed g_velacc -m not automatically using -s tree | commitdiff
2010-10-13 Teemu MurtolaFixed selection problems with a minus sign. tree | commitdiff
2010-10-13 Teemu MurtolaFixed valgrind warnings in selections. tree | commitdiff
2010-10-13 Teemu MurtolaFixed more selection negation segfaults. tree | commitdiff
2010-10-13 Teemu MurtolaFixed segfaults with negations in selections. tree | commitdiff
2010-10-12 Berk Hessadded note to g_density for using g_energy for normal... tree | commitdiff
2010-10-12 Berk Hessfixed incorrect dispersion correction for TPI with... tree | commitdiff
2010-10-09 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-10-09 Erik LindahlFixed uninitialized variable warning in grompp.c tree | commitdiff
2010-10-08 Berk Hessfixed typo in checkpoint warning tree | commitdiff
2010-10-08 Berk Hessmade combination of tpi and pme work again in parallel tree | commitdiff
2010-10-08 Berk Hessfixed combination of tpic with pme, pme mesh energy... tree | commitdiff
2010-10-08 David van der SpoelMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-10-08 Sander PronkNow really fixed locking of log file. tree | commitdiff
2010-10-08 Roland Schulzfixed locking of log file - broken by d750b9ce tree | commitdiff
2010-10-07 David van der SpoelFixed compilation issues with C99 compatibility. tree | commitdiff
2010-10-07 David van der SpoelFixes and small additions to g_wham, due to Jochen... tree | commitdiff
2010-10-07 hessfixed genbox producing incorrect residue names with... tree | commitdiff
2010-10-07 Roland Schulzadded a comment about assumptions of aligned memory tree | commitdiff
2010-10-06 Christoph JunghansCMake: fortran fix tree | commitdiff
2010-10-05 Christoph Junghanscmake: give openmm default suffixes tree | commitdiff
2010-10-05 Christoph Junghanscmake: install-mdrun should not install pkg-config... tree | commitdiff
2010-10-05 Berk Hessmade grompp mdp input file non-optional, fixes bugzilla 577 tree | commitdiff
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