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Enable the Reference platform for OpenMM.
[alexxy/gromacs.git] / src /
2010-08-19 Rossen ApostolovEnable the Reference platform for OpenMM. tree | commitdiff
2010-08-19 Michael ShirtsAdditional fixes to the nsttcouple and nstpcouple worki... tree | commitdiff
2010-08-19 Michael ShirtsAdditional changes for setting nsttcouple tree | commitdiff
2010-08-19 Michael ShirtsFix for readir.c so that nstpcouple and nsttcouple... tree | commitdiff
2010-08-19 Michael ShirtsFixed bug with md-vv and with v-rescale tree | commitdiff
2010-08-19 Michael ShirtsProposed fix for v-rescale and berendsen for velocity... tree | commitdiff
2010-08-19 Michael ShirtsMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2010-08-18 Erik LindahlUpdated GB SSE2 kernels, testing in progress now... tree | commitdiff
2010-08-18 Michael ShirtsMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2010-08-18 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-18 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-18 Rossen ApostolovFixed the execution order in OpenMM so that the generat... tree | commitdiff
2010-08-18 Christoph Junghanscmake: add so version to libs tree | commitdiff
2010-08-18 Christoph Junghansport lib suffixes to cmake tree | commitdiff
2010-08-18 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-18 Erik LindahlFix to write GB and surface energy to separate terms... tree | commitdiff
2010-08-18 Berk Hessreduced the warning limit for Berendsen T-coupling... tree | commitdiff
2010-08-18 Michael ShirtsMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2010-08-18 Michael ShirtsChanged the way energy conservation bookeeping is done. tree | commitdiff
2010-08-18 Berk Hessremoved the bNEMD boolean from the main MD loop and... tree | commitdiff
2010-08-18 Berk Hessadded some comment to group grompp assignment options tree | commitdiff
2010-08-18 Berk Hessadded group comparison to gmxcheck and print groups... tree | commitdiff
2010-08-18 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-18 Erik LindahlEnabled double precision all-vs-all kernels. Tested... tree | commitdiff
2010-08-18 Berk Hessfixed possible pathe string buffer overflow in get_libdir tree | commitdiff
2010-08-18 Erik LindahlFixed simple typo in last commit tree | commitdiff
2010-08-18 Erik LindahlFixed previous nasm-segv bug for intel-syntax SSE in... tree | commitdiff
2010-08-17 Erik LindahlFixed 64-bit bug in SSE assembly (only visible with... tree | commitdiff
2010-08-17 Erik LindahlWorked around an internal compiler error for MSVC when... tree | commitdiff
2010-08-17 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-17 Erik LindahlDeprecated -ins option to g_hbond since nobody seems... tree | commitdiff
2010-08-17 Sander Pronkfsync fix for FAH core. tree | commitdiff
2010-08-17 Erik LindahlCopied all-vs-all change from x86-64 to ia32 kernels too tree | commitdiff
2010-08-17 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-17 Erik LindahlFixed potential error in coulomb energy, and maybe... tree | commitdiff
2010-08-17 Michael ShirtsMerge branch 'release-4-5-patches' of git@git.gromacs... tree | commitdiff
2010-08-17 Christoph Junghansstore custom GMX defines in pkgconfig files for cmake tree | commitdiff
2010-08-17 Christoph Junghansstore custom GMX defines in pkgconfig files for autotools tree | commitdiff
2010-08-17 Berk Hessadded function rescale_velocities tree | commitdiff
2010-08-17 Roland SchulzUse always DIR_SEPARATOR tree | commitdiff
2010-08-17 Roland SchulzFix two Windows futil bugs: tree | commitdiff
2010-08-17 Roland Schulzfixed spelling mistake introduced by 303d4543 tree | commitdiff
2010-08-16 Rossen ApostolovRemoved the nb_kernel4xx_intel_syntax.c entries from... tree | commitdiff
2010-08-16 Rossen ApostolovAdded support for improper dihedrals needed for CHARMM... tree | commitdiff
2010-08-16 Berk Hessgmx_rmpbc now guesses ePBC again for each frame tree | commitdiff
2010-08-16 Berk Hessgmx_rmpbc gets natoms passed again, without natoms... tree | commitdiff
2010-08-16 Berk Hessput omp pragma's in fft5d.c between ifdef's tree | commitdiff
2010-08-16 Sander PronkFixed xdr3dfcoord thread safety issues. tree | commitdiff
2010-08-16 Sander PronkMoved the OS-dependent part of gmx_fio_fsync() to futil.c tree | commitdiff
2010-08-16 Berk Hessadded openmp pragma's for the fft5d transpose routines tree | commitdiff
2010-08-16 Berk Hessfixed mdrun writes tpidist.xvg on all nodes tree | commitdiff
2010-08-16 Berk Hessfixed segv in mdrun with replica exchange tree | commitdiff
2010-08-16 Berk Hessfixed fatal error in mdrun file appending with -multi... tree | commitdiff
2010-08-14 Sander PronkFixed an issue with gmx_copy_file that would allow... tree | commitdiff
2010-08-13 Teemu MurtolaCosmetic fixes for selection parsing. tree | commitdiff
2010-08-13 Michael ShirtsTrying to get vscale working with vv. tree | commitdiff
2010-08-13 Berk Hessgmxcheck now prints rmsd's as %g iso %f tree | commitdiff
2010-08-13 Berk Hessmoved full precision real format definition to simple.h tree | commitdiff
2010-08-13 hessfixed apme bug that caused slightly incorrect results... tree | commitdiff
2010-08-12 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-12 Erik LindahlAdded double precision SSE2 generalized born kernels... tree | commitdiff
2010-08-12 Berk Hessreverted the last, non-cosmetic change to pme.c tree | commitdiff
2010-08-12 Berk Hessminor cosmetic changes in pme.c tree | commitdiff
2010-08-12 Rossen ApostolovOpenMM: added support for AmberFF proper/improper torsi... tree | commitdiff
2010-08-12 Berk Hessmade the pdb2gmx occupancy warning more obvious tree | commitdiff
2010-08-12 Berk Hessfixed incorrect pdb2gmx output with multiple (altloc... tree | commitdiff
2010-08-12 Erik LindahlAdded ia32 all-vs-all kernels tree | commitdiff
2010-08-12 Erik LindahlUpdated autoconf to work with renamed SSE2 x86-64 asm... tree | commitdiff
2010-08-12 Erik LindahlRenamed SSE2 x86-64 asm test file to be consistent... tree | commitdiff
2010-08-12 Erik LindahlFixed typo to detect both x86_64->i386 and i386->x86_64... tree | commitdiff
2010-08-12 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-12 Erik LindahlFixed a naming error introduced yesterday in 32bit... tree | commitdiff
2010-08-12 Erik LindahlFixed compiler errors for MSVC inline intrinsics and... tree | commitdiff
2010-08-12 Erik LindahlFixed checkpoint problem in 32 bits. We should always... tree | commitdiff
2010-08-12 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-12 Erik LindahlRemoved extra TER records after chains we think are... tree | commitdiff
2010-08-12 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-12 Erik LindahlFixed SSE kernels in double precision for Cmake, workin... tree | commitdiff
2010-08-11 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-11 Erik LindahlCmake and Nasm support for windows tree | commitdiff
2010-08-11 Berk Hessremoved -merge from the pdb2gmx manual and clarified... tree | commitdiff
2010-08-11 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-11 Berk Hessfixed bug that caused a segv when snew failed tree | commitdiff
2010-08-11 Rossen ApostolovFix for CMake builds so that they don't fail even when... tree | commitdiff
2010-08-11 Teemu MurtolaFixed non-interactive stdin selection parsing. tree | commitdiff
2010-08-10 Erik LindahlMoved four more SSE assembly files to avoid double... tree | commitdiff
2010-08-10 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-10 Erik LindahlChanges to make Cmake work under windows again tree | commitdiff
2010-08-10 Erik LindahlRenamed intel syntax assembly files to avoid double... tree | commitdiff
2010-08-10 Rossen ApostolovFixed a typo in src/tools/CMakeLists.txt. tree | commitdiff
2010-08-10 Erik LindahlAdded NASM Cmake support tree | commitdiff
2010-08-10 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-10 Teemu MurtolaFixed a segfault in selection code. tree | commitdiff
2010-08-10 Rossen ApostolovAdded missing NULL in chainsep enum in pdb2gmx. tree | commitdiff
2010-08-10 Erik LindahlMAYBE a fix for Berk's Heme problem. Needs testing tree | commitdiff
2010-08-10 Berk Hessremoved pdb2gmx -cysh hidden option that should have... tree | commitdiff
2010-08-09 Sander PronkSmall fix to deal with possible overflows in dh binning. tree | commitdiff
2010-08-09 Teemu MurtolaFixed compiler warnings in qm_orca.c. tree | commitdiff
2010-08-09 Teemu MurtolaMore PME-User-Switch fixes. tree | commitdiff
2010-08-09 Berk Hessmade mdrun -seppot work with threads and -seppot now... tree | commitdiff
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