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Add initial support for python bindings
[alexxy/gromacs.git] / src /
2014-10-12 Maxim KoltsovAdd initial support for python bindings tree | commitdiff
2014-10-09 Mark AbrahamFixed minor issue with NPT conserved energy tree | commitdiff
2014-10-09 Mark AbrahamClean up cshake() and resolve old issues tree | commitdiff
2014-10-05 Roland SchulzAllow runAsMainSingleModule to be called more than... tree | commitdiff
2014-10-03 Mark AbrahamMove pair-interaction code into listed-forces module tree | commitdiff
2014-10-03 Teemu MurtolaMore robust handling for installed headers 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
2014-10-01 Carsten KutznerAllow gmx tune_pme to skip the check for command-line... tree | commitdiff
2014-09-30 Erik LindahlAdd Power8 VSX SIMD support tree | commitdiff
2014-09-30 Szilard PallFix incorrect LJ cut-off with GPU + PME tuning tree | commitdiff
2014-09-30 Berk HessAvoid DLB with overloaded PME ranks tree | commitdiff
2014-09-30 Berk HessAdded GPU local wait to load balancing tree | commitdiff
2014-09-30 Erik LindahlAvoid using function calls in OpenMP directives tree | commitdiff
2014-09-29 Berk HessDomain decomposition now checks the rlist buffer tree | commitdiff
2014-09-29 Berk HessSIMD acceleration for RB dihedrals tree | commitdiff
2014-09-29 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-09-29 Berk HessAvoid PME tuning decreasing rcoulomb 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
2014-09-26 Rossen ApostolovConverted swap module to C++. tree | commitdiff
2014-09-26 Szilárd PállFix incorrect assertion statement tree | commitdiff
2014-09-23 Mark AbrahamRenamed bonded module as 'listed-forces' tree | commitdiff
2014-09-23 Mark AbrahamRefactor mdrun integration tests tree | commitdiff
2014-09-23 Roland SchulzFix ICC warnings tree | commitdiff
2014-09-23 David van der SpoelFixes potential bug in neighborsearching. tree | commitdiff
2014-09-23 Teemu MurtolaReorganize CPack management tree | commitdiff
2014-09-23 Teemu MurtolaGenerate man pages and completions by default if possible tree | commitdiff
2014-09-22 Teemu MurtolaMerge "Merge release-5-0 into master" tree | commitdiff
2014-09-22 Roland SchulzFix message about incorrect usage of dihedral type 9 tree | commitdiff
2014-09-21 Roland SchulzMerge release-5-0 into master tree | commitdiff
2014-09-21 Teemu MurtolaSkip man/html/completion generation if not needed tree | commitdiff
2014-09-20 Teemu MurtolaFix patterns for .gitattributes tree | commitdiff
2014-09-20 Roland SchulzMinor performance improments tree | commitdiff
2014-09-19 Teemu MurtolaProper dependencies for Doxygen build rules tree | commitdiff
2014-09-19 Teemu MurtolaFix histogram resampling output bin positions tree | commitdiff
2014-09-19 Teemu MurtolaAdd support for cumulative histograms tree | commitdiff
2014-09-19 Teemu MurtolaMore precise analysisdata histogram accumulation 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
2014-09-18 Roland SchulzFix double linkage for tests tree | commitdiff
2014-09-17 Roland SchulzFix shared libs for Mingw 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
2014-09-16 Roland SchulzFix warnings for ICC 15 tree | commitdiff
2014-09-13 Teemu MurtolaExtend support for float/double tolerances in testing tree | commitdiff
2014-09-13 Teemu MurtolaDeclare __STDC_*_MACROS in gmxpre.h tree | commitdiff
2014-09-12 Mark AbrahamMinor changes to mdrun -h descriptions tree | commitdiff
2014-09-11 Roland SchulzFix sorting and doxygen tree | commitdiff
2014-09-11 Teemu MurtolaImprove uncrustify.sh return code handling tree | commitdiff
2014-09-11 Teemu MurtolaAdd gmx_getpid() tree | commitdiff
2014-09-11 Mark AbrahamConvert domdec code to C++ tree | commitdiff
2014-09-11 Teemu MurtolaMove _GNU_SOURCE to gmxpre.h tree | commitdiff
2014-09-11 Teemu MurtolaSort includes outside src/gromacs tree | commitdiff
2014-09-11 Teemu MurtolaSort all includes in src/gromacs tree | commitdiff
2014-09-11 Teemu MurtolaUse absolute include paths in nbnxn kernels tree | commitdiff
2014-09-11 Teemu MurtolaManually sort some includes in src/gromacs tree | commitdiff
2014-09-11 Erik LindahlEnable static anon namespace workaround on pathscale tree | commitdiff
2014-09-10 Erik LindahlImprove performance of MIC exponential 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
2014-09-09 Szilárd PállFix malformed CUDA version macro check tree | commitdiff
2014-09-09 Berk HessFixed DD state collection issue tree | commitdiff
2014-09-09 Rossen ApostolovConverted groupcoord to C++. tree | commitdiff
2014-09-09 Rossen ApostolovConverted fft files to C++. 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
2014-09-08 Berk HessCheck for implicit solvent + Verlet scheme tree | commitdiff
2014-09-08 Teemu MurtolaSupport custom default extension for FileNameOption tree | commitdiff
2014-09-08 Teemu MurtolaRemove unnecessary extensions in t_filenm defaults tree | commitdiff
2014-09-07 Teemu MurtolaMore consistent default handling for StringOption tree | commitdiff
2014-09-07 Roland SchulzRemove some include order dependencies tree | commitdiff
2014-09-07 Roland SchulzFix build for external boost 1.56.0 tree | commitdiff
2014-09-07 Roland SchulzSimplify AVX integer load/store tree | commitdiff
2014-09-05 Roland SchulzFix build for external boost 1.56.0 tree | commitdiff
2014-09-05 Teemu MurtolaRemove unnecessary config.h includes tree | commitdiff
2014-09-05 Teemu MurtolaMove some defines to gmxpre.h for thread-MPI 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 Roland SchulzSlight simplifcation of 2xnn tree | commitdiff
2014-09-04 Teemu MurtolaInclude config.h directly if used tree | commitdiff
2014-09-04 Teemu MurtolaMake doc-check silent for in-source build 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
2014-09-04 Christoph Junghanscmake: missing quote 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 Mark AbrahamFix mis-use of fabs in LAPACK tree | commitdiff
2014-09-03 Roland SchulzFix that TNG tests were not run tree | commitdiff
2014-09-03 Erik LindahlFixed preprocessor error for AVX_128_FMA simd tree | commitdiff
2014-09-02 Erik LindahlFix formatting of fatal errors in g_bar tree | commitdiff
2014-09-02 Roland SchulzFix PRINT_ALLOC_KB output tree | commitdiff
2014-09-02 Magnus LundborgTNG Fix for GMX_DOUBLE builds and where ZLIB is not... tree | commitdiff
2014-09-02 Magnus LundborgFix data block length when uncompressing TNG data. tree | commitdiff
2014-09-01 Magnus LundborgTNG: Handle large files on 32 bit systems. tree | commitdiff
2014-09-01 Justin LemkulUpdated x-axis label for g_wham. tree | commitdiff
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