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fixed/improved cmake FFTW3 detection
[alexxy/gromacs.git] / src /
2010-08-31 SzilardRemoved leftover debug message from openmm_wrapper tree | commitdiff
2010-08-31 Berk Hessavoided creation of neighborlists without j-particles tree | commitdiff
2010-08-31 Erik LindahlAdded label writing capability to editconf when used... tree | commitdiff
2010-08-31 Erik LindahlAdded check for <2 frames when autocorrelation is reque... tree | commitdiff
2010-08-31 Erik LindahlMoved buggy and unsupported g_sdf to contrib directory... tree | commitdiff
2010-08-31 Sander PronkFixed warning in gmx_energy tree | commitdiff
2010-08-30 hessg_rms now allows for more atoms in trx than tpr tree | commitdiff
2010-08-30 hesssmall changes to grompp documentation tree | commitdiff
2010-08-30 Christoph Junghansfixed a typo in old libxdrf fortran wrapper tree | commitdiff
2010-08-30 Erik LindahlImproved handling of include paths in gmxcpp from Teemu tree | commitdiff
2010-08-30 Christoph Junghansforcerec.c: added missing int tree | commitdiff
2010-08-30 Sander Pronkgrompp calculates output size with dh data estimate. tree | commitdiff
2010-08-30 Sander PronkClearer error messages in g_energy. tree | commitdiff
2010-08-30 Sander PronkFixed the g_energy -odh option to be less confusing. tree | commitdiff
2010-08-30 hessCorrected trjconv check for topology presence, see... tree | commitdiff
2010-08-30 Mark AbrahamMade a pdb2gmx message less cryptic when it finds multi... tree | commitdiff
2010-08-29 Sander PronkMade the dhdl_derivatives option do something when... tree | commitdiff
2010-08-27 Erik LindahlAdded longer list of authors... tree | commitdiff
2010-08-27 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-27 Erik LindahlAdded check for SSE2 support to use generalized born... tree | commitdiff
2010-08-26 Roland SchulzRevert "Parenthesis around comparisons and no <= or... tree | commitdiff
2010-08-27 Roland Schulzfix logic to convert GMX_INTEGER_BIG_ENDIAN to ARCH_IS_... tree | commitdiff
2010-08-27 Erik LindahlAdded trjconv check for topology prescence, see bugzill... tree | commitdiff
2010-08-27 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-27 Erik LindahlFixed gmxcpp to always use unix path separators in... tree | commitdiff
2010-08-27 Roland SchulzParenthesis around comparisons and no <= or >= for xlc tree | commitdiff
2010-08-27 Sander PronkFixed begin and end times in g_bar. tree | commitdiff
2010-08-27 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-27 Erik LindahlFixed another uninitialized variable warning in gmx_ene... tree | commitdiff
2010-08-27 Erik LindahlAdd current path (./) to topol.top include when force... tree | commitdiff
2010-08-27 Sander PronkMore documentation for g_bar. tree | commitdiff
2010-08-27 Erik LindahlDont write EOF warnings to stdout every time we checkpo... tree | commitdiff
2010-08-27 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-27 Erik LindahlFixed first statemement occuring before variable declar... tree | commitdiff
2010-08-27 Sander PronkSome documentation changes. tree | commitdiff
2010-08-27 Sander PronkSome documentation changes. 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 automatically pick the force field... tree | commitdiff
2010-08-26 Rossen ApostolovModified the OpenMM wrapper interface to support the... tree | commitdiff
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
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