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Intermolecular bonded interaction support added
[alexxy/gromacs.git] / src /
2015-06-25 Berk HessIntermolecular bonded interaction support added tree | commitdiff
2015-06-25 Szilard PallAdd missing macro undef in CUDA NB kernel tree | commitdiff
2015-06-25 Roland SchulzFix Wundef warnings tree | commitdiff
2015-06-25 Teemu MurtolaMove documentation on tool changes from wiki tree | commitdiff
2015-06-25 Mark AbrahamMerge "Merge release-5-0 into master" tree | commitdiff
2015-06-25 Berk HessReenabled SIMD kernels without cut-offs tree | commitdiff
2015-06-25 Mark AbrahamMerge release-5-0 into master tree | commitdiff
2015-06-24 Erik LindahlAvoid accessing hackblocks for x2top tree | commitdiff
2015-06-24 Magnus LundborgUpdate header when appending to TNG file. tree | commitdiff
2015-06-24 Berk HessGPU Ewald table kernel now uses CPU spacing tree | commitdiff
2015-06-24 Berk HessAvoid GPU selection with GPU emulation tree | commitdiff
2015-06-24 Berk HessMinor reformatting of SIMD mismatch message tree | commitdiff
2015-06-24 Berk HessAdd sugar to print empty line in printBinaryInformation tree | commitdiff
2015-06-23 Erik LindahlUpdated physical constants from NIST 2010 CODATA tree | commitdiff
2015-06-23 Erik LindahlRemoved buggy -smooth hack in hbond module tree | commitdiff
2015-06-22 Berk HessUpdate launch configuration for physical nodes tree | commitdiff
2015-06-22 Roland SchulzFix GMX_ALIGNMENT for MSVC 2012 and 2013 tree | commitdiff
2015-06-22 Berk HessAvoid fp exceptions in pair search debug tree | commitdiff
2015-06-22 Erik LindahlUse MPI_THREAD_FUNNELED when available tree | commitdiff
2015-06-22 Erik LindahlFix segfault in random access XTC searching tree | commitdiff
2015-06-22 Erik LindahlFix argument order error for g_rmsdist tree | commitdiff
2015-06-22 Erik LindahlFix gro errors with PDB insertion codes tree | commitdiff
2015-06-22 Berk HessReplaced hardware threads by logical cores in output tree | commitdiff
2015-06-21 Szilard Pallfix CPU core oversubscription detection tree | commitdiff
2015-06-20 Erik LindahlUpdated docs for g_gyrate tree | commitdiff
2015-06-20 Erik LindahlFix potential buffer overflow in pdb2gmx tree | commitdiff
2015-06-20 Erik LindahlDisallow infinite epsilon with PME or GB. tree | commitdiff
2015-06-20 Erik LindahlRemove GMX_MAX_MPI_THREADS tree | commitdiff
2015-06-20 Erik LindahlFix reproducibility bug in fft5d tree | commitdiff
2015-06-20 Erik LindahlHandle multidir/multisim with single argument correctly tree | commitdiff
2015-06-19 Erik LindahlFix incorrect shift with g_density -center tree | commitdiff
2015-06-19 Roland SchulzFix missing include tree | commitdiff
2015-06-18 Berk HessReduced the cost of the pull communication tree | commitdiff
2015-06-17 Szilard Pallfix minor CUDA NB kernel performance regression tree | commitdiff
2015-06-17 Teemu MurtolaMinor clean up for refdata.* tree | commitdiff
2015-06-17 Teemu MurtolaImprove logic for automatic selection names tree | commitdiff
2015-06-17 Berk HessRefactored pull data structures tree | commitdiff
2015-06-16 Erik LindahlFix CUDA version info in NVML application clock warning tree | commitdiff
2015-06-16 Erik LindahlAdd membrane embedding docs tree | commitdiff
2015-06-16 Berk HessAdded missing DD cycle counting tree | commitdiff
2015-06-16 Mark AbrahamMove code for managing mdrun -cpi and -append tree | commitdiff
2015-06-16 Berk HessAutomated the -gpu_id option tree | commitdiff
2015-06-16 Erik LindahlFix segfault with timer reset and -nb cpu tree | commitdiff
2015-06-16 Erik LindahlAvoid warning about affinity on Blue Gene, reduce warnings tree | commitdiff
2015-06-16 Mark AbrahamFix pairs_nb not recognized as part of moleculetype tree | commitdiff
2015-06-16 Mark AbrahamAdd unit tests for ArrayRef tree | commitdiff
2015-06-16 Roland SchulzFix consts in bonded and clincs tree | commitdiff
2015-06-15 Erik LindahlFix OS X FFTW build failures introduced 86a772 tree | commitdiff
2015-06-15 Erik LindahlFixed SIMD detection and flags common for IBM archs tree | commitdiff
2015-06-15 Rossen ApostolovBuilding own fftw now uses version 3.3.4 tree | commitdiff
2015-06-14 Berk HessRefactored mdrun resource division tree | commitdiff
2015-06-13 Berk HessHardware reporting now covers all nodes tree | commitdiff
2015-06-12 Mark AbrahamFix commandline test data tree | commitdiff
2015-06-12 Teemu MurtolaUpdate help output tree | commitdiff
2015-06-12 Magnus LundborgTNG version 1.7.6 tree | commitdiff
2015-06-12 Teemu MurtolaImprove Jenkins docs build tree | commitdiff
2015-06-11 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into... tree | commitdiff
2015-06-11 Mark AbrahamHandle timing better in Jenkins tree | commitdiff
2015-06-11 Mark AbrahamClean up vsite interaction clean-up code tree | commitdiff
2015-06-09 Mark AbrahamDocument limitations of trjconv -dump tree | commitdiff
2015-06-09 Mark AbrahamMerge branch release-4-6 into release-5-0 tree | commitdiff
2015-06-09 Teemu MurtolaAdd description of relocatable binaries tree | commitdiff
2015-06-09 Teemu MurtolaResolve one TODO for command line help tests tree | commitdiff
2015-06-09 Teemu MurtolaImprove user guide text for command line interface tree | commitdiff
2015-06-08 Szilard Palladd last two GROMACS paper citations tree | commitdiff
2015-06-07 Erik LindahlFix out-of-range integer literals for threefry tree | commitdiff
2015-06-06 Szilard PallOptimize atomic accumulation in CUDA NB kernel tree | commitdiff
2015-06-06 Roland SchulzUse stat to check that paths are equivalent tree | commitdiff
2015-06-05 Roland SchulzMerge release-5-0 into master tree | commitdiff
2015-06-05 Roland SchulzReenable lincs/bonded SIMD for ICC on Windows tree | commitdiff
2015-06-05 Mark AbrahamRemove gmx_simd_check_and_reset_overflow tree | commitdiff
2015-06-05 Berk HessDon't use PME ranks with GPUs and -npme=-1 tree | commitdiff
2015-06-04 Mark AbrahamFix naming from "Gromacs" to "GROMACS" tree | commitdiff
2015-06-04 Teemu MurtolaFix potential FPE in selection tests tree | commitdiff
2015-06-04 Teemu MurtolaRefactor rst parsing for console output tree | commitdiff
2015-06-04 Teemu MurtolaReplace gromacs.7 man page with gmx.1 tree | commitdiff
2015-06-04 Teemu MurtolaDocument current help formatting tree | commitdiff
2015-06-04 Teemu MurtolaBasic support for titles within tool help tree | commitdiff
2015-06-04 Teemu MurtolaSupport rst tables in tool help texts tree | commitdiff
2015-06-03 Roland SchulzUse stack buffer for LINCS&bonded gather/scatter tree | commitdiff
2015-06-02 Rossen ApostolovConverted random module to C++. tree | commitdiff
2015-05-30 Roland SchulzWork-around for ICC 15 on Phi tree | commitdiff
2015-05-28 Teemu MurtolaImprove lists in user guide for selections tree | commitdiff
2015-05-28 Teemu MurtolaAdditional selection examples tree | commitdiff
2015-05-27 Berk HessRefactoring of PME load balancing tree | commitdiff
2015-05-27 Mark AbrahamFix warnings from GCC 5 tree | commitdiff
2015-05-27 Rossen ApostolovConverted pulling code to C++. tree | commitdiff
2015-05-26 Mark AbrahamAvoid possible floating-point exception tree | commitdiff
2015-05-26 Mark AbrahamConvert ewald module to C++ tree | commitdiff
2015-05-26 Mark AbrahamFix use of hard-coded temporary filename tree | commitdiff
2015-05-25 Teemu MurtolaOverview docs for analysis nbsearch tree | commitdiff
2015-05-24 Teemu MurtolaInclude selection keyword details in user guide tree | commitdiff
2015-05-23 Mark AbrahamFix misuse of gmx_simd_check_and_reset_overflow tree | commitdiff
2015-05-23 Berk HessRemoved static from variables in gmx_lapack tree | commitdiff
2015-05-22 Teemu MurtolaAllow any order for sections in 'gmx help -export' tree | commitdiff
2015-05-22 Teemu MurtolaBase to get all 'gmx help' contents to user guide tree | commitdiff
2015-05-22 Teemu MurtolaMerge release-5-0 into master tree | commitdiff
2015-05-22 Teemu MurtolaAvoid crash with empty reference for 'same as' selection tree | commitdiff
2015-05-22 Teemu MurtolaAdd subsection depth to HelpWriterContext tree | commitdiff
2015-05-22 Teemu MurtolaAdd note about atom order in selections tree | commitdiff
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