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additional fix to commit c5d62af07d01b8, now libmd also get suffixes
[alexxy/gromacs.git] / src /
2010-06-24 Szilard Palladditional fix to commit c5d62af07d01b8, now libmd... tree | commitdiff
2010-06-24 Szilard PallMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-24 Szilard Pallcmake support for user-defined binary prefixes, custom... tree | commitdiff
2010-06-24 Per LarssonFixed an erroneous store operation for gb/coulomb poten... tree | commitdiff
2010-06-24 Berk Hessremoved obsolete fftgrid code and disabled PPPM with... tree | commitdiff
2010-06-24 Carsten Kutznerspeed up tuning for large numbers of processes tree | commitdiff
2010-06-24 Sander PronkXDR file I/O is now thread safe. tree | commitdiff
2010-06-24 Berk Hesschanged pdb2gmx water model atom count detection tree | commitdiff
2010-06-24 Carsten Kutznertry to avoid weird PME/PP combinations in g_tune_pme tree | commitdiff
2010-06-24 Berk Hessimplemented nsteps=-1 for mdrun continuation and tpbconv tree | commitdiff
2010-06-24 Berk Hessfixed smalloc.h and smalloc.c definition inconsistencies tree | commitdiff
2010-06-24 Berk HessMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-24 Mark AbrahamAdded snew_aligned and sfree_aligned for managing n... tree | commitdiff
2010-06-23 Gerrit GroenhofMerge branch 'master' into qmmm tree | commitdiff
2010-06-23 Berk Hessremoved statusio.h tree | commitdiff
2010-06-23 Berk Hessfixed gmx_eneconv compiler warnings tree | commitdiff
2010-06-23 Berk Hessfixed eneconv -dt option temporarily not writing averages tree | commitdiff
2010-06-23 Maarten WolfFixed compiler warnings tree | commitdiff
2010-06-23 Per LarssonFixed the same typo in kernel400/410_ia32_sse2 tree | commitdiff
2010-06-22 Carsten Kutznerg_tune_pme now also updates rlistlong etc. tree | commitdiff
2010-06-22 Berk Hesscorrected edr format issue introduced today tree | commitdiff
2010-06-22 Teemu MurtolaFixed gmxcpp directory search for include files. tree | commitdiff
2010-06-22 Sander PronkMore C90 fixes in membed. tree | commitdiff
2010-06-22 Sander PronkC90 fixes. tree | commitdiff
2010-06-22 Sander Pronkvmdio error message fix. tree | commitdiff
2010-06-22 Sander PronkMost (if not all) file operations are now thread safe. tree | commitdiff
2010-06-22 BerkEM now always writes last trr frame again tree | commitdiff
2010-06-22 Per LarssonAdded a ";" in nb_kernel430_ia32_sse2.c tree | commitdiff
2010-06-21 Berk Hessadd gmx_qsort routine, since glibc qsort is not threads... tree | commitdiff
2010-06-21 Carsten Kutznerg_tune_pme: add option to choose how nprocs is passed... tree | commitdiff
2010-06-21 Berk Hessfixed typo in fatal_error call tree | commitdiff
2010-06-20 Szilard PallMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-20 Peter Kassonfixed typo in previous commit tree | commitdiff
2010-06-20 Peter KassonModified stat.c trr file check for FAHCORE. tree | commitdiff
2010-06-18 Berk Hessnow mdrun does not write the trr file when it would... tree | commitdiff
2010-06-18 Berk Hessadded env var GMX_MAXBACKUP tree | commitdiff
2010-06-18 Per LarssonFixed a typo tree | commitdiff
2010-06-18 David van der SpoelFixed Makefile.am leading to warnings. tree | commitdiff
2010-06-18 Erik MarklundRemoved fitting to rev. gem. recomb. model. It will... tree | commitdiff
2010-06-18 Erik MarklundCommented out the ballistic stuff and the fitting to... tree | commitdiff
2010-06-18 Berkfixed pdb2gmx tip4p adn tip5p atom naming (although... tree | commitdiff
2010-06-18 Berkpdb2gmx force field choices now start numbering at 1 tree | commitdiff
2010-06-18 Maarten WolfFix g_membed compilation error tree | commitdiff
2010-06-18 Gerrit GroenhofMerge branch 'master' into qmmm tree | commitdiff
2010-06-18 Per LarssonChanged erroneous #define DOUBLE to #define GMX_DOUBLE tree | commitdiff
2010-06-17 Maarten WolfMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-17 Berk Hessfix for the previous mdrun -rerun commit tree | commitdiff
2010-06-17 Berk Hessmdrun -rerun now reads the rerun traj only on the maste... tree | commitdiff
2010-06-17 Berk Hessminor update for previous replex bugfix tree | commitdiff
2010-06-17 Carsten KutznerMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-06-17 Carsten Kutznerfixed tuning for loadleveler and updated it to modified... tree | commitdiff
2010-06-17 Berk Hessfixed mdrun -rerun giving NaN with dispcorr tree | commitdiff
2010-06-17 Berk Hessadded water model selection and list file to pdb2gmx tree | commitdiff
2010-06-17 Berk HessMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-17 Per LarssonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-17 Per LarssonFixed inner GB scale factor in double precision nb_kern... tree | commitdiff
2010-06-17 Szilard PallMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-17 Szilard Pallfixed minor bug in openmm_wrapper.cpp tree | commitdiff
2010-06-17 kassonChanged HAVE_COPYFILE check to HAVE_COPYFILE_H in futil.c tree | commitdiff
2010-06-16 kassonFixing #if statement. tree | commitdiff
2010-06-16 kassonAdded defined() to #if macros tree | commitdiff
2010-06-16 kassonMerge branch 'mymaster' tree | commitdiff
2010-06-16 Rossen ApostolovSmall cleanup of the openmm section in mdrun.c tree | commitdiff
2010-06-16 Peter KassonChanged some SSE typecasts to macros; fixing ICC/Window... tree | commitdiff
2010-06-16 Berk Hessfixed MPI crash when nat_home=0 in DD tree | commitdiff
2010-06-16 Berk Hessrestored the old order of the mdrun option and removed... tree | commitdiff
2010-06-16 Carsten Kutznerfixed g_tune_pme for the use with IBM's poe tree | commitdiff
2010-06-16 Rossen ApostolovMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-06-16 Rossen ApostolovFixed the command line options for GPU binaries. tree | commitdiff
2010-06-16 Berk Hessreplaced more gmx_fatal by collective calls in DD tree | commitdiff
2010-06-16 Berk Hesswith nsteps=-1 mdrun now prints ns/day estimate tree | commitdiff
2010-06-16 Berk Hessall energy minimizers now do 0 steps with nsteps=0... tree | commitdiff
2010-06-16 Per LarssonAdded a check in grompp for nstgbradii<1. tree | commitdiff
2010-06-15 Berk Hessallvsall loops now trigger particle decomposition tree | commitdiff
2010-06-15 Berk Hessfatal_error in the DD initialization now calls MPI_Fina... tree | commitdiff
2010-06-15 Sander PronkFixed return values for MPI_Comm_compare in thread_mpi. tree | commitdiff
2010-06-14 David van der SpoelFixed make_edi.c tree | commitdiff
2010-06-14 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-06-14 David van der SpoelAdded more fixes in comment texts, generously provided... tree | commitdiff
2010-06-14 Sander PronkAdded MPI_Comm_compare() to thread_mpi. tree | commitdiff
2010-06-14 Berk Hessadded -cwd option to pdb2gmx tree | commitdiff
2010-06-13 Teemu MurtolaFixed a compiler warning. tree | commitdiff
2010-06-12 Sander PronkMore C90 pedantry. tree | commitdiff
2010-06-12 David van der SpoelFixed a lot of spelling errors in comments and document... tree | commitdiff
2010-06-11 Peter KassonModifications in fsync routines for checkpoints. tree | commitdiff
2010-06-11 Sander PronkFixed another batch of // comments. tree | commitdiff
2010-06-11 Sander PronkRemoved references to MPI_Wtime() for when MPI is not... tree | commitdiff
2010-06-11 Berk Hessfixed mdrun counter resetting issues tree | commitdiff
2010-06-11 Sander PronkMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-11 Sander PronkPointer arithmetic bug fix in mshift.c tree | commitdiff
2010-06-11 Berk Hessoptimized the number of threads tree | commitdiff
2010-06-11 Sander PronkFixed an allocation error during thread spawns. tree | commitdiff
2010-06-11 Sander PronkMerge branch 'threadspawn' tree | commitdiff
2010-06-11 Sander PronkCleaned up code that determines thread number. tree | commitdiff
2010-06-11 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-06-11 Sander PronkNumber of threads is now also determined by system... tree | commitdiff
2010-06-11 Michael ShirtsFixed various logic problems preventing proper energy... tree | commitdiff
2010-06-10 Erik MarklundMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-10 Szilard Pallfixed warnings in gmx_gpu_utils and openmm_wrapper tree | commitdiff
2010-06-10 Szilard PallMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
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