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Merge branch 'release-4-5-patches' of git.gromacs.org:gromacs into release-4-5-patches
[alexxy/gromacs.git] / src /
2010-08-23 Rossen ApostolovMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-23 Rossen ApostolovFixed a typo about non-existing macro in OpenMM tree | commitdiff
2010-08-23 Christoph JunghansFixed threads flags in pc files for autotools tree | commitdiff
2010-08-23 Berk Hessremoved the pdb2gmx -cwd option and updated the pdb2gmx... tree | commitdiff
2010-08-23 Berk Hesspdb2gmx now prints the force field dir before the selec... tree | commitdiff
2010-08-23 Mark AbrahamTwo spelling fixes in comment and output tree | commitdiff
2010-08-23 Pär BjelkmarMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-23 Berk Hessfixed mpi hang/crash with separate pme nodes and dd... tree | commitdiff
2010-08-22 Erik LindahlFixed uninitialized variable error in GB kernel with... tree | commitdiff
2010-08-22 Erik LindahlFixed an unsigned/signed integer comparison tree | commitdiff
2010-08-22 Erik LindahlFixed two more instances of strcasecmp->gmx_strcasecmp tree | commitdiff
2010-08-22 Erik LindahlCopied SSE intrinsics kernels from x86-64 to ia32 tree | commitdiff
2010-08-22 Erik LindahlReplaced all occurences of str(n)casecmp with gmx_str... tree | commitdiff
2010-08-22 Erik LindahlFixed stupid mistake where a statement was placed befor... tree | commitdiff
2010-08-22 Erik LindahlReplaced testing of git version with testing for features tree | commitdiff
2010-08-22 Erik LindahlFixed naming problems for double precision Fortran... tree | commitdiff
2010-08-22 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-22 Erik LindahlCleaned up all installed headers to remove strict depen... tree | commitdiff
2010-08-22 David van der SpoelFixed bug 417. tree | commitdiff
2010-08-21 Erik LindahlAdded F77 kernel setup headers tree | commitdiff
2010-08-21 Erik LindahlFixed synchronization counter update for f77 kernels tree | commitdiff
2010-08-21 Erik LindahlFixed a bug for GB OBC born radius calculation in SSE2... tree | commitdiff
2010-08-21 Erik LindahlFixed an uninitialized variable bug tree | commitdiff
2010-08-21 Erik LindahlFixed a minor bug that caused Fortran builds to fail... tree | commitdiff
2010-08-21 Erik LindahlDont write nonpolar surface energy to energy file if... tree | commitdiff
2010-08-21 Erik LindahlFixed so Fortran kernels work again tree | commitdiff
2010-08-21 Erik LindahlFixed a chain rule error in double prec. SSE2 GB for... tree | commitdiff
2010-08-21 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-21 Erik LindahlDouble precision SSE2 kernels for Generalized Born... tree | commitdiff
2010-08-20 Sander PronkAdded support for new mdp options controlling free... tree | commitdiff
2010-08-20 Berk Hessadded function do_cpte_n_reals to checkpoint.c tree | commitdiff
2010-08-20 Berk Hessfixed automated DD/PME grid decomposition choice which... tree | commitdiff
2010-08-20 Berk Hessdisabled optimized IBM BlueGene converts2ints macro... tree | commitdiff
2010-08-20 Berk Hessincreased tpx_generation which should have been done... tree | commitdiff
2010-08-20 Berk Hesseneconv now copies the new delta_t entry tree | commitdiff
2010-08-20 Berk Hessadded dt to energy file frames tree | commitdiff
2010-08-20 Berk Hessadded free and some comment to deprecated close_trj tree | commitdiff
2010-08-20 Berk Hessfixed segv's in g_anaeig tree | commitdiff
2010-08-19 David van der SpoelFixes more misery in function skipstr, where pointers... tree | commitdiff
2010-08-19 David van der SpoelAdded two missing include files. Fixed horrible coding... tree | commitdiff
2010-08-19 Sander PronkFixed get_libdir() PATH search. tree | commitdiff
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
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