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Fixed minor issue with NPT conserved energy
[alexxy/gromacs.git] / src / gromacs / gmxpreprocess /
2014-10-01 Mark AbrahamMerge release-5-0 into master tree | commitdiff
2014-09-29 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-09-29 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-09-23 Mark AbrahamRenamed bonded module as 'listed-forces' tree | commitdiff
2014-09-23 Roland SchulzFix ICC warnings tree | commitdiff
2014-09-21 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-09-18 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-09-17 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-09-17 David van der SpoelMerge release-5-0 into master tree | commitdiff
2014-09-11 Teemu MurtolaSort all includes in src/gromacs tree | commitdiff
2014-09-11 Teemu MurtolaManually sort some includes in src/gromacs tree | commitdiff
2014-09-10 David van der SpoelRemove .tpa, .tpb, .tpx, .trj files. Part of #1500. tree | commitdiff
2014-09-10 Justin LemkulAdded flat-bottom cylindrical restraints in x and y. tree | commitdiff
2014-09-10 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-09-08 Berk HessCheck for implicit solvent + Verlet scheme tree | commitdiff
2014-09-07 Roland SchulzRemove some include order dependencies tree | commitdiff
2014-09-05 Teemu MurtolaRemove unnecessary config.h includes tree | commitdiff
2014-09-05 Teemu MurtolaMerge "Merge release-5-0 into master" tree | commitdiff
2014-09-05 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-09-04 Teemu MurtolaMerge "Merge release-5-0 into master" tree | commitdiff
2014-09-04 Mark AbrahamCreated bonded module tree | commitdiff
2014-09-03 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-09-03 Roland SchulzFix MingW build tree | commitdiff
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2014-09-01 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-08-29 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-08-25 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-08-22 Teemu MurtolaMove -nice handling to CommandLineModuleManager tree | commitdiff
2014-08-20 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-08-19 Teemu MurtolaIntroduce gmxpre.h for truly global definitions tree | commitdiff
2014-08-17 Roland SchulzUse full path for legacyheaders tree | commitdiff
2014-08-16 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-08-10 Berk HessAdded checks for TPI + Verlet scheme tree | commitdiff
2014-08-10 Roland SchulzMerge release-4-6 into release-5-0 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
2014-07-28 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-07-09 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-07-09 Roland SchulzRemove all unnecessary HAVE_CONFIG_H tree | commitdiff
2014-07-08 Teemu MurtolaClean up program name handling in oenv tree | commitdiff
2014-07-05 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-06-30 Teemu MurtolaMerge release-5-0 into master 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
2014-06-28 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 ngogaDefault SD integrator is now sd1 by Nicu Goga 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 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
2014-06-24 Erik LindahlMake sure duplicates bondeds are set from hackblocks tree | commitdiff
2014-06-24 Erik LindahlClean up CMAP placement in parameter list tree | commitdiff
2014-06-23 Erik LindahlEnable terminus-specific atom translation tree | commitdiff
2014-06-23 Erik LindahlWarn if using nsteps=0 without continuation=yes tree | commitdiff
2014-06-22 Erik LindahlMake log file option listing similar to mdp names tree | commitdiff
2014-06-21 Erik LindahlMake sure masses are copied from termini databases tree | commitdiff
2014-06-20 Rossen ApostolovRemoved unused parameters and cleanup of inputrec. tree | commitdiff
2014-06-19 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-06-18 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-06-15 Teemu MurtolaConvert gmx_residuetype_t to a non-pointer tree | commitdiff
2014-06-12 Rossen ApostolovCleanup environment variables. tree | commitdiff
2014-06-07 David van der SpoelMerge "Merge release-5-0 into master" tree | commitdiff
2014-06-07 David van der SpoelMerge release-5-0 into master tree | commitdiff
2014-06-07 Teemu MurtolaMove residuetype handling to its own file. tree | commitdiff
2014-06-07 Teemu MurtolaMove index.* to topology/ tree | commitdiff
2014-06-06 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-05 Mark AbrahamMerge "Merge release-5-0 into master" tree | commitdiff
2014-06-03 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-06-02 Teemu MurtolaMove atomprop.* to topology/ tree | commitdiff
2014-06-02 Erik LindahlAdded grompp checks for zero atom masses in state B tree | commitdiff
2014-05-31 Teemu MurtolaMove mtop_util.* and topsort.* to topology/ tree | commitdiff
2014-05-27 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-05-27 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-05-25 Teemu MurtolaMove types/topology.h to topology/ tree | commitdiff
2014-05-24 Teemu MurtolaMove types/atoms.h to topology/ tree | commitdiff
2014-05-24 Teemu MurtolaMove types/ishift.h to pbcutil/ tree | commitdiff
2014-05-24 Teemu MurtolaMove types/block.h to topology/ tree | commitdiff
2014-05-24 Teemu MurtolaMove symtab.* to topology/ tree | commitdiff
2014-05-24 Teemu MurtolaMerge t_symtab into symtab.h tree | commitdiff
2014-05-24 Teemu MurtolaMove pbc.* to pbcutil/ tree | commitdiff
2014-05-24 Mark AbrahamMove tools code to where it is used tree | commitdiff
2014-05-22 Berk HessAvoid energy drift with verlet-buffer-tolerance tree | commitdiff
2014-05-22 Teemu MurtolaMerge t_pbc definition into pbc.h tree | commitdiff
2014-05-18 Teemu MurtolaClean up math/ tree | commitdiff
2014-05-14 Teemu MurtolaMove physics.* to math/units.* tree | commitdiff
2014-05-14 Roland SchulzMerge "Merge release-5-0 into master" tree | commitdiff
2014-05-10 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-05-10 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-05-09 Roland SchulzFix comparison of array to NULL tree | commitdiff
2014-05-09 Roland SchulzMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2014-05-09 Roland SchulzFix GCC 4.8 warnings tree | commitdiff
2014-04-29 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2014-04-28 Roland SchulzReduced usage of typdefs.h tree | commitdiff
2014-04-27 Roland SchulzFix cppcheck 1.64 warnings tree | commitdiff
2014-04-20 Roland SchulzMove part of macros.h to grompp-impl.h tree | commitdiff
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