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Added the g_pme_error tool from Florian Dommert. Thanks!
[alexxy/gromacs.git] / src /
2010-08-26 Rossen ApostolovAdded the g_pme_error tool from Florian Dommert. Thanks! tree | commitdiff
2010-08-26 Rossen ApostolovFixed hardcoded OpenMM library name. tree | commitdiff
2010-08-26 Sander Pronkgmx_bar now works with derivative histogram sets. tree | commitdiff
2010-08-26 Erik LindahlFixed pointer typo in patch from Alexey Shvetsov tree | commitdiff
2010-08-26 Erik LindahlAdded PBC checking patch to g_cluster from Alexey Shvet... tree | commitdiff
2010-08-26 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-26 Erik LindahlModified pdb2gmx to not accept extra hydrogen atoms... tree | commitdiff
2010-08-26 Sander PronkFree energy histogram bug fixes. tree | commitdiff
2010-08-26 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-26 Berk Hessfixed bug that caused corrupted checkpoint files tree | commitdiff
2010-08-26 Sander Pronkderivative histograms are now written in both positive... tree | commitdiff
2010-08-26 Berk Hesspdb2gmx now only allows a mismatch of a sign (iso any... tree | commitdiff
2010-08-26 Sander Pronkg_bar reads dhdl.xvg files without derivatives. tree | commitdiff
2010-08-26 Sander PronkFree energy writing to ener.edr and four new options... tree | commitdiff
2010-08-26 Teemu MurtolaFixed valgrind warnings and a segfault in pdb2gmx. tree | commitdiff
2010-08-26 Mark AbrahamSpelling fixes in pdb2gmx documentation tree | commitdiff
2010-08-26 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-26 Erik LindahlRevert "Made pdb2gmx be slightly more helpful when... tree | commitdiff
2010-08-26 Rossen ApostolovRemoved the unnecessary hacks from some boolean statements. tree | commitdiff
2010-08-26 Erik LindahlFix for warning in ngmx makefile tree | commitdiff
2010-08-26 Erik LindahlRemoved useless g_logo and g_highway programs from... tree | commitdiff
2010-08-26 Erik Lindahlg_kinetics removed from automatically built programs... tree | commitdiff
2010-08-25 Rossen ApostolovRedefine the default boolean type to gmx_bool. tree | commitdiff
2010-08-25 Erik LindahlAdded missing header include tree | commitdiff
2010-08-25 hessturned on pdb2gmx Amber rtp renaming for pdb input... tree | commitdiff
2010-08-25 hessfixed pdb2gmx not automatically changing termini rtp... tree | commitdiff
2010-08-25 David van der SpoelMade genrestr -constr to produce constraints of type... tree | commitdiff
2010-08-25 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-25 Erik LindahlMade sure all source files have some copyright header... tree | commitdiff
2010-08-25 Mark AbrahamFixed leak from unclosed directory handles when pdb2gmx... tree | commitdiff
2010-08-25 Mark AbrahamMade pdb2gmx be slightly more helpful when using AMBER... tree | commitdiff
2010-08-24 Erik LindahlRe-added openmm paper tree | commitdiff
2010-08-24 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-24 Erik LindahlUpdated intel syntax x86-64 asm files to also support... tree | commitdiff
2010-08-24 hesspdb2gmx can now rename terminal rtp entries with rtp... tree | commitdiff
2010-08-24 Berk Hessfixed pdb2gmx using start name iso end name for C-terminus tree | commitdiff
2010-08-24 Berk Hessfixed bug in search_rtp introduced in previous commit tree | commitdiff
2010-08-24 Berk Hessupdated gmx_membed.c for a VV update tree | commitdiff
2010-08-24 Berk Hessfixed pdb2gmx behavior for nearly matching residue... tree | commitdiff
2010-08-24 hessfixed too permissive check for pdb2gmx warning about... tree | commitdiff
2010-08-24 hessreenabled the pdb2gmx force field sorting tree | commitdiff
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
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