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Fixed minor issue with NPT conserved energy
[alexxy/gromacs.git] / src / gromacs / gmxlib /
2014-10-03 Mark AbrahamMove pair-interaction code into listed-forces module tree | commitdiff
2014-10-03 Mark AbrahamUnite code for handling listed pairs tree | commitdiff
2014-10-01 Mark AbrahamMerge release-5-0 into master tree | commitdiff
2014-09-30 Erik LindahlAdd Power8 VSX SIMD support tree | commitdiff
2014-09-29 Berk HessSIMD acceleration for RB dihedrals tree | commitdiff
2014-09-29 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-09-29 Berk HessFix calc_grid avoiding PME grid factor 84 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
2014-09-20 Roland SchulzMinor performance improments tree | commitdiff
2014-09-18 Erik LindahlAdd Power/PowerPC VMX SIMD support 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 MurtolaAdd gmx_getpid() tree | commitdiff
2014-09-11 Teemu MurtolaMove _GNU_SOURCE to gmxpre.h 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 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-09-08 Erik LindahlAdd 64-bit AArch64 asimd SIMD support tree | commitdiff
2014-09-08 Erik LindahlAdd 32-bit ARM Neon SIMD support tree | commitdiff
2014-09-05 Teemu MurtolaRemove unnecessary config.h includes tree | commitdiff
2014-09-05 Teemu MurtolaAnother batch of added config.h 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 MurtolaInclude config.h directly if used tree | commitdiff
2014-09-04 Teemu MurtolaMerge "Merge release-5-0 into master" tree | commitdiff
2014-09-04 Mark AbrahamCreated bonded module tree | commitdiff
2014-09-04 Erik LindahlK-computer specific modifications tree | commitdiff
2014-09-03 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-09-03 Roland SchulzFix MingW build tree | commitdiff
2014-09-03 Erik LindahlFixed sc_power==48 crash in single precision tree | commitdiff
2014-09-03 Erik LindahlFixed preprocessor error for AVX_128_FMA simd tree | commitdiff
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2014-09-01 Mark AbrahamFixes and updates to BlueGene/Q support 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
2014-08-20 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-08-20 Roland SchulzChange error to warning for missing OMP_NUM_THREADS tree | commitdiff
2014-08-20 Erik LindahlEnable SIMD register calling convention with gmx_simdcall 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
2014-08-17 Mark AbrahamRemove mdrun -seppot tree | commitdiff
2014-08-16 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-08-10 Erik LindahlImprove Gromacs portability 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 "Merge release-5-0 into master" tree | commitdiff
2014-07-28 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-07-27 Roland SchulzRemove individual cuda libraries tree | commitdiff
2014-07-27 Roland SchulzRemove memtest tree | commitdiff
2014-07-09 Roland SchulzAdd comments for code with race condition 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
2014-07-08 Teemu MurtolaMove -debug to cmdlinemodulemanager.cpp tree | commitdiff
2014-07-05 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-07-01 Teemu MurtolaAdjust include directory order for some corner cases tree | commitdiff
2014-06-30 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2014-06-29 Erik LindahlFixed free energy with LJ-PME tree | commitdiff
2014-06-29 Roland SchulzMerge release-4-6 into release-5-0 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 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 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-06-27 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-26 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
2014-06-22 Erik LindahlMake log file option listing similar to mdp names tree | commitdiff
2014-06-21 Teemu MurtolaConvert checkpoint.c to C++ compilation 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
2014-06-18 Mark AbrahamMade mdrun warn when generic kernels are used tree | commitdiff
2014-06-12 Rossen ApostolovCleanup environment variables. tree | commitdiff
2014-06-10 Berk HessReplaced gmx_hostname_num by gmx_physicalnode_id_hash 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 index.* to topology/ tree | commitdiff
2014-06-06 Mark AbrahamMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-03 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-06-02 Teemu MurtolaMove atomprop.* to topology/ tree | commitdiff
2014-05-31 Teemu MurtolaMove mtop_util.* and topsort.* to topology/ tree | commitdiff
2014-05-29 Teemu MurtolaRemove more uses of typedefs.h 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 general functions out of typedefs.h tree | commitdiff
2014-05-25 Teemu MurtolaMove types/topology.h to topology/ tree | commitdiff
2014-05-24 Teemu MurtolaMove types/idef.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 invblock.* to topology/ tree | commitdiff
2014-05-24 Teemu MurtolaMove types/block.h to topology/ tree | commitdiff
2014-05-24 Teemu MurtolaMove symtab.* to topology/ tree | commitdiff
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