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Added support for submission to cdash servers.
[alexxy/gromacs.git] / src /
2011-10-20 Christoph JunghansMerge "Changed default value for g_anaeig -last to... tree | commitdiff
2011-10-20 Christoph JunghansMerge "Add CMakeLists.txt.user to gitignore" into relea... tree | commitdiff
2011-10-15 Christoph JunghansMerge "Fixes MPI_GROUP_EMPTY for tMPI" into release-4-6 tree | commitdiff
2011-10-13 Mark AbrahamChanged default value for g_anaeig -last to -1 tree | commitdiff
2011-10-11 Roland SchulzFixes MPI_GROUP_EMPTY for tMPI tree | commitdiff
2011-10-06 Szilárd PállMerge "Removed duplicate CMake functionality" into... tree | commitdiff
2011-10-05 Roland SchulzOnly create group if part of load communicator and... tree | commitdiff
2011-09-27 Mark AbrahamRemoved autotools and references to them. tree | commitdiff
2011-09-21 David van der SpoelCommented out part of this new program that was not... tree | commitdiff
2011-09-21 David van der SpoelFixed documentation issue described in redmine issue... tree | commitdiff
2011-09-21 David van der SpoelFixed documentation issue described in redmine issue... tree | commitdiff
2011-09-19 Justin A. LemkulFixed typos in documentation. tree | commitdiff
2011-09-19 Sander PronkC89 fixes. tree | commitdiff
2011-09-19 David van der SpoelFixed compilation issues tree | commitdiff
2011-09-19 Rossen ApostolovMerge "Resolved gerrit issue https://gerrit.gromacs... tree | commitdiff
2011-09-19 David van der SpoelResolved gerrit issue https://gerrit.gromacs.org/#chang... tree | commitdiff
2011-09-19 Rossen ApostolovAdded support for g_dos, g_hydorder and g_densorder... tree | commitdiff
2011-09-19 Rossen ApostolovFixed a bug in egbOBC and double precission. tree | commitdiff
2011-09-19 Berk Hessadded grompp check for posres+pcoupl+refcoord_scaling=no tree | commitdiff
2011-09-16 Rossen ApostolovMerge "g_wham: fixed pullx.xvg reading issue with pull_... tree | commitdiff
2011-09-16 Erik LindahlMerge "made allocation for LINCS with particle decompos... tree | commitdiff
2011-09-16 Jochen Hubg_wham: fixed pullx.xvg reading issue with pull_geometr... tree | commitdiff
2011-09-15 Berk Hessmdrun -multi -cpi now checks if simulations parts are... tree | commitdiff
2011-09-15 Berk HessMerge "Introduced different options for pdb2gmx termini... tree | commitdiff
2011-09-15 Mark AbrahamFix trjconv -sub tree | commitdiff
2011-09-15 Mark AbrahamWarning about trjconv -sub needing many files open tree | commitdiff
2011-09-15 Mark Abrahamg_sham -mdata is an input file, not output file tree | commitdiff
2011-09-14 Mark AbrahamFormat warning better tree | commitdiff
2011-09-13 Rossen ApostolovMerge "Added warning line." into release-4-5-patches tree | commitdiff
2011-09-13 Erik LindahlIntroduced different options for pdb2gmx termini introd... tree | commitdiff
2011-09-13 Berk HessMerge "Fix pdb2gmx -debug and .hdb files" into release... tree | commitdiff
2011-09-13 Berk HessMerge "Fixed charge groups of CHARMM27 DNA/RNA terminal... tree | commitdiff
2011-09-13 Berk HessMerge "Added ACE and CT3 to CHARMM27 aminoacids.rtp... tree | commitdiff
2011-09-13 David van der SpoelAdded warning line. tree | commitdiff
2011-09-13 Roland SchulzMerge "fixed grompp issue with decoupling and virtual... tree | commitdiff
2011-09-13 Rossen ApostolovMerge "Fixes for CMake finding FORTRAN library names... tree | commitdiff
2011-09-13 Berk HessMerge "Remove segv in xpm2ps, fixes #611" into release... tree | commitdiff
2011-09-13 Berk Hessfixed grompp issue with decoupling and virtual sites tree | commitdiff
2011-09-13 Mark AbrahamFix pdb2gmx -debug and .hdb files tree | commitdiff
2011-09-06 Mark AbrahamFix bug with large ints without MPI_IN_PLACE tree | commitdiff
2011-09-05 Berk Hessmade allocation for LINCS with particle decomposition... tree | commitdiff
2011-09-05 Michael ShirtsMerge "fixed incorrect pV term in the energy file"... tree | commitdiff
2011-09-01 Mark AbrahamMade grompp note about non-zero charge more useful tree | commitdiff
2011-09-01 Mark AbrahamRe-implemented generating default protein index groups tree | commitdiff
2011-09-01 Mark AbrahamAdjusted construction of default index groups tree | commitdiff
2011-09-01 Mark AbrahamFixed comment tree | commitdiff
2011-08-31 Carsten KutznerRemove segv in xpm2ps, fixes #611 tree | commitdiff
2011-08-29 Berk Hessfixed incorrect pV term in the energy file tree | commitdiff
2011-08-25 Carsten KutznerInstead of a segv, mdrun now gives an error msg if... tree | commitdiff
2011-08-23 Roland SchulzMerge "Fixed g_disre dereferencing cr" into release... tree | commitdiff
2011-08-23 Roland SchulzMerge "Typo fix" into release-4-5-patches tree | commitdiff
2011-08-23 Roland SchulzMerge "fixed operation on closed file structure in... tree | commitdiff
2011-08-23 Roland SchulzMerge "fixed possible infinite loop when reading atom... tree | commitdiff
2011-08-23 Mark AbrahamFixed g_disre dereferencing cr tree | commitdiff
2011-08-23 Mark AbrahamTypo fix tree | commitdiff
2011-08-22 Berk Hessfixed operation on closed file structure in gmx_rmsdist... tree | commitdiff
2011-08-22 Berk Hessfixed possible infinite loop when reading atom types... tree | commitdiff
2011-08-19 Mark AbrahamExplained terminal residues and AMBER in pdb2gmx -h tree | commitdiff
2011-08-16 Mark AbrahamMade free energy perturbation work with CMAP tree | commitdiff
2011-08-15 Berk Hessfixed incorrect pointer assignment in g_protonate tree | commitdiff
2011-08-12 Berk Hessimplemented full exclusion support for the charge-group... tree | commitdiff
2011-08-11 Roland SchulzMerge "removed npmenodes mismatch warning in read_check... tree | commitdiff
2011-08-11 Berk HessMerge "Make sure that ftell works correctly for files... tree | commitdiff
2011-08-10 Roland SchulzMake sure that ftell works correctly for files opened... tree | commitdiff
2011-08-10 Berk Hessremoved npmenodes mismatch warning in read_checkpoint... tree | commitdiff
2011-08-10 Berk Hessremoved fatal_error for prime number of nodes when... tree | commitdiff
2011-08-02 Carsten KutznerTypo. tree | commitdiff
2011-08-02 Berk Hessmade trjconv -novel work again, fixes #722 tree | commitdiff
2011-07-29 Carsten KutznerFixed calculation of max and min number of PME-only... tree | commitdiff
2011-07-22 Michael Shirtsnumber of degrees of freedom can be fractional -- in... tree | commitdiff
2011-07-20 Justin A. LemkulRemoved jargon and abbreviations from pdb2gmx. tree | commitdiff
2011-07-20 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-07-20 David van der SpoelAdded initialization of arrays after srenew call. tree | commitdiff
2011-07-17 Mark AbrahamStreamlined small part of pdb2gmx tree | commitdiff
2011-07-15 Mark AbrahamReading a .g96 trajectory now causes fatal error tree | commitdiff
2011-07-13 Berk Hessfixed div by 0 in compute_io, fixes #778 tree | commitdiff
2011-07-11 Mark AbrahamFix some identifier naming issues in last commit tree | commitdiff
2011-07-11 Mark AbrahamAvoided some integer overflows tree | commitdiff
2011-07-08 Mark AbrahamClarified use of OPLS/AA zwitterion termini tree | commitdiff
2011-07-08 Mark AbrahamFixed improper file close with GB and mdrun -debug tree | commitdiff
2011-07-08 Mark AbrahamMade pdb2gmx error message less cryptic tree | commitdiff
2011-07-01 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-07-01 Christoph Junghansdl lib was missing in libgmx.pc if GMX_DLOPEN is enabled tree | commitdiff
2011-07-01 Justin A. LemkulFixed PME citation. tree | commitdiff
2011-06-29 Justin A. LemkulFixes for g_bar output. Units are now correct. tree | commitdiff
2011-06-29 Mark AbrahamRevert "draft" tree | commitdiff
2011-06-29 Mark AbrahamImproved error message and documentation tree | commitdiff
2011-06-29 Mark Abrahamdraft tree | commitdiff
2011-06-23 Berk Hesstpbconv can now read cpt files, fixes #741 tree | commitdiff
2011-06-22 Berk Hessfixed convergence of multiple pull constraints tree | commitdiff
2011-06-21 Justin A. LemkulFixed typos. tree | commitdiff
2011-06-21 Justin A. LemkulMade grompp fatal error a little more explicit. tree | commitdiff
2011-06-21 Mark AbrahamExpanded LINCS warning text tree | commitdiff
2011-06-20 Sander PronkFixed symtab buffer error message. tree | commitdiff
2011-06-10 Berk Hessfixed grompp enx Nose-Hoover Xi reading, fixes #759 tree | commitdiff
2011-06-10 David van der SpoelMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2011-06-09 Justin A. Lemkulgenion and genbox now print in a consistent manner. tree | commitdiff
2011-06-09 Christoph JunghansMerge branch 'release-4-5-patches' of git://git.gromacs... tree | commitdiff
2011-06-09 Christoph JunghansAdded a comment where bPhobics comes from tree | commitdiff
2011-06-09 Berk Hessfixed dirrent_t memory allocation issue on Solaris... tree | commitdiff
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