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Move some verlet headers to mdlib
[alexxy/gromacs.git] / src /
2014-08-11 Roland SchulzMove some verlet headers to mdlib tree | commitdiff
2014-08-10 Teemu MurtolaImprove initAfterFirstFrame() usability tree | commitdiff
2014-08-10 Teemu MurtolaMake vec.h const-correct with both C and C++ tree | commitdiff
2014-08-10 Teemu MurtolaBasic exclusion support for analysis nbsearch tree | commitdiff
2014-08-09 Teemu MurtolaAdd Selection::hasOnlyAtoms() tree | commitdiff
2014-08-07 Teemu MurtolaBasic support for 2D neighborhood search for analysis tree | commitdiff
2014-08-03 Teemu MurtolaCheck frame atom count before evaluating selections tree | commitdiff
2014-07-31 Teemu MurtolaMerge "Merge release-5-0 into master" tree | commitdiff
2014-07-31 Roland SchulzReplace most strdup with gmx_strdup tree | commitdiff
2014-07-31 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-07-31 Berk HessAvoid division by 0 in nbnxn_search tree | commitdiff
2014-07-29 Mark AbrahamConverted md_support.c to C++ tree | commitdiff
2014-07-28 Christian WennbergFix overflow in LJ-PME nbnxn kernels tree | commitdiff
2014-07-28 Roland SchulzMerge "Merge release-5-0 into master" tree | commitdiff
2014-07-28 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-07-28 Roland SchulzAdd unit test for random/Threefry tree | commitdiff
2014-07-28 Roland SchulzRemove Random123/features tree | commitdiff
2014-07-27 Roland SchulzRemove individual cuda libraries tree | commitdiff
2014-07-27 Roland SchulzRemove memtest tree | commitdiff
2014-07-27 Erik LindahlFix selection of xtc groups not starting at index 0 tree | commitdiff
2014-07-25 Roland SchulzWorkaround for ICC 14 bug tree | commitdiff
2014-07-24 Teemu MurtolaDo not actually install uniqueptr.h tree | commitdiff
2014-07-23 Roland SchulzAdd support for int64 in refdata tree | commitdiff
2014-07-22 Roland SchulzFix GMX_BUILD_OWN_FFTW for Cygwin tree | commitdiff
2014-07-21 Roland SchulzFix GMX_NONBONDED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_THREADS tree | commitdiff
2014-07-16 Mark AbrahamQuiet gcc-4.8 warnings about unused results tree | commitdiff
2014-07-16 Teemu MurtolaFix HTML help and man pages for commands with dashes tree | commitdiff
2014-07-12 Teemu MurtolaMake gmx_node_num/rank safer tree | commitdiff
2014-07-11 Teemu MurtolaFix HTML links that contain file extensions tree | commitdiff
2014-07-09 Roland SchulzAdd comments for code with race condition tree | commitdiff
2014-07-09 Teemu MurtolaClean up gmx_header_config tree | commitdiff
2014-07-09 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-07-09 Roland SchulzFix Cygwin build tree | commitdiff
2014-07-09 Roland SchulzRemove all unnecessary HAVE_CONFIG_H tree | commitdiff
2014-07-08 Erik LindahlMake IEEE754 check more robust tree | commitdiff
2014-07-08 Teemu MurtolaRemove PCA_QUIET tree | commitdiff
2014-07-08 Teemu MurtolaAdditional index group checks for selections tree | commitdiff
2014-07-08 Teemu MurtolaClean up program name handling in oenv tree | commitdiff
2014-07-08 Teemu MurtolaImprove FileNameOption error handling tree | commitdiff
2014-07-08 Teemu MurtolaMove GMX_CXX11 to config.h tree | commitdiff
2014-07-08 Teemu MurtolaRemove gmx_unique_ptr from options public headers tree | commitdiff
2014-07-08 Teemu MurtolaMake selections ignore \r in input tree | commitdiff
2014-07-08 Teemu MurtolaRemove selection help from SelectionCollection tree | commitdiff
2014-07-08 Teemu MurtolaChange some gmx_unique_ptr to shared_ptr in public... tree | commitdiff
2014-07-08 Mark AbrahamRemove bOK from MD loop tree | commitdiff
2014-07-08 Teemu MurtolaMove -debug to cmdlinemodulemanager.cpp tree | commitdiff
2014-07-05 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-07-05 Magnus LundborgFix bug causing reading next frame not to stop. tree | commitdiff
2014-07-05 Magnus LundborgFix tng_num_frame_sets_get() with no frame sets. tree | commitdiff
2014-07-05 Teemu MurtolaReinstantiate unsorted index group check tree | commitdiff
2014-07-05 David van der SpoelFixed inconsistency in blocka handling. tree | commitdiff
2014-07-01 Roland SchulzAdd support for int64 in refdata tree | commitdiff
2014-07-01 Teemu MurtolaAdjust include directory order for some corner cases tree | commitdiff
2014-07-01 Mark AbrahamFix GMock to work on MSVC tree | commitdiff
2014-06-30 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-06-29 Berk HessTake LJ-PME into account for table spacing tree | commitdiff
2014-06-29 Erik LindahlFixed free energy with LJ-PME tree | commitdiff
2014-06-29 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-06-29 Teemu MurtolaRemove some hardcoded selection string buffers tree | commitdiff
2014-06-29 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-29 Erik LindahlEnable rtp angle/dihedral entries not connected by... tree | commitdiff
2014-06-29 Michael ShirtsAllow printing potential energies to dhdl.xvg file tree | commitdiff
2014-06-29 David van der SpoelFixes #1532, SEGV in g_current. tree | commitdiff
2014-06-28 Mark AbrahamMerge branch 'release-4-6' into release-5-0 tree | commitdiff
2014-06-28 Erik LindahlFixed CMAP generation for alanine dipeptide special... tree | commitdiff
2014-06-28 Magnus LundborgUpdate TNG build system tree | commitdiff
2014-06-28 Mark AbrahamUse parallel terminology more consistently tree | commitdiff
2014-06-28 ngogaDefault SD integrator is now sd1 by Nicu Goga tree | commitdiff
2014-06-28 Teemu MurtolaRemove overeager selection index group check tree | commitdiff
2014-06-28 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-06-27 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-27 Erik LindahlAlways set b-state posres, even if identical to a-state tree | commitdiff
2014-06-27 Erik LindahlUpdate g_density to handle bilayers better tree | commitdiff
2014-06-27 Erik LindahlFix LJPME Lorentz-Berthelot combination rules tree | commitdiff
2014-06-27 Rossen ApostolovChanged linking order to make Extrae work. tree | commitdiff
2014-06-27 Erik LindahlImprove PDB I/O (keep occupancy, b-factor, element) tree | commitdiff
2014-06-27 Erik LindahlAvoid warnings about coupling when free_energy=no tree | commitdiff
2014-06-26 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-06-26 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-25 Erik LindahlMake source compile under Linux X32 ABI tree | commitdiff
2014-06-25 David van der SpoelAdded check for domain decomposition and shells. tree | commitdiff
2014-06-24 Magnus LundborgImproved check to decide if to add chain/residue. tree | commitdiff
2014-06-24 David van der SpoelAdded check in grompp for shells and inputrec issues. tree | commitdiff
2014-06-24 Berk HessFixed the sign of mass perturbed contribution tree | commitdiff
2014-06-24 Erik LindahlMake sure duplicates bondeds are set from hackblocks tree | commitdiff
2014-06-24 Erik LindahlClean up CMAP placement in parameter list tree | commitdiff
2014-06-24 Erik LindahlAdded multisimulation info to log/output tree | commitdiff
2014-06-24 Erik LindahlFixed recent bug with disp.corr. and vdwtype=shift tree | commitdiff
2014-06-24 Rossen ApostolovExtend version checking/warnings for checkpoint continu... tree | commitdiff
2014-06-24 Mark AbrahamConverted runner.c to C++ tree | commitdiff
2014-06-24 Paul van MaarenIncreased precision of distance output tree | commitdiff
2014-06-23 Erik LindahlEnable terminus-specific atom translation tree | commitdiff
2014-06-23 Erik LindahlEnable 4-letter resname in PDB output, keeps more pdbinfo. tree | commitdiff
2014-06-23 Erik LindahlEnable xvgr output and labels for g_principal tree | commitdiff
2014-06-23 Erik LindahlDisallow extracting V/F from XTC files in g_traj tree | commitdiff
2014-06-23 Erik LindahlWarn if using nsteps=0 without continuation=yes tree | commitdiff
2014-06-22 David van der SpoelImplemented fatal error for nstcalcenergy!=1 with shells. tree | commitdiff
2014-06-22 Rossen ApostolovMore clear message for undefined pullgroups. tree | commitdiff
2014-06-22 Erik LindahlMake log file option listing similar to mdp names tree | commitdiff
2014-06-21 Vedran MiletićUse ${CMAKE_INSTALL_LIBDIR} as lib directory for tng_io... tree | commitdiff
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