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Fixed the execution order in OpenMM so that the generated trajectory frames correspon...
[alexxy/gromacs.git] / include /
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 Hessremoved the bNEMD boolean from the main MD loop and... tree | commitdiff
2010-08-17 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-17 Sander PronkFixed thread_mpi inline assembly issue and non-optimize... tree | commitdiff
2010-08-17 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-17 Berk Hessadded function rescale_velocities tree | commitdiff
2010-08-16 Berk Hessgmx_rmpbc gets natoms passed again, without natoms... tree | commitdiff
2010-08-16 Sander PronkMoved the OS-dependent part of gmx_fio_fsync() to futil.c tree | commitdiff
2010-08-13 Berk Hessmoved full precision real format definition to simple.h tree | commitdiff
2010-08-12 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-12 Erik LindahlFixed checkpoint problem in 32 bits. We should always... 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 Sander PronkC++ type fixes in thread_mpi atomics. tree | commitdiff
2010-08-11 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-11 Sander PronkCmake now honors CFLAGS/CXXFLAGS as much as it can. 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 LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-09 Sander PronkNow correctly checkpoints on dhdl histograms/lists... tree | commitdiff
2010-08-09 Berkenv.var. GMX_NB_GENERIC no turns off solvent optimizati... tree | commitdiff
2010-08-09 Berkadded exclusion check for cg-cg innerloops tree | commitdiff
2010-08-08 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-06 Sander PronkBAR calculations can now store energy histograms in... tree | commitdiff
2010-08-06 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-05 Berk Hesssc_sigma now also sets the minimum value for the soft... tree | commitdiff
2010-08-04 Erik LindahlFixed nonexistent return type on gmx_mm_sincos_pd tree | commitdiff
2010-08-04 Erik LindahlAdded out int-extraction macro to double precision... tree | commitdiff
2010-08-04 Erik LindahlAdded double precision SSE2 transcendental functions... tree | commitdiff
2010-08-04 Erik LindahlFixed accuracy issues in gmx_mm_log_ps(), and added... tree | commitdiff
2010-08-03 Berk Hessmade vrescale and Berendsen tcouple work with VV, altho... tree | commitdiff
2010-08-02 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-02 Christoph Junghansfixed linking of inputrec.h tree | commitdiff
2010-08-02 Erik LindahlFixed error in (unused) SSE2 double precision inline... tree | commitdiff
2010-08-02 Sander PronkFixed shared library build by removing references to... tree | commitdiff
2010-08-01 David van der SpoelMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-01 David van der SpoelMoved pdb2top.h from src/kernel to include to allow... tree | commitdiff
2010-07-30 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-30 Erik LindahlReplaced non-thread-safe calls to ctime() with our... tree | commitdiff
2010-07-30 Berkadded mdp parameters nsttcouple and nstpcouple tree | commitdiff
2010-07-30 Christoph Junghansremoved old motif stuff from statutil.h tree | commitdiff
2010-07-30 Christoph Junghansremove some deprecated headers, which are not used... tree | commitdiff
2010-07-30 Sander PronkMore onerous locking of open_files in gmx_fio. tree | commitdiff
2010-07-30 Erik LindahlAdded portable gmx_ctime_r() to enable replacement... tree | commitdiff
2010-07-30 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-30 Erik LindahlReplaced readdir() with readdir_r() to avoid future... tree | commitdiff
2010-07-30 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-30 Berkcommented out nthreads and threadid in t_commrec to... tree | commitdiff
2010-07-29 Rossen ApostolovRemoved OpenMM interface from autoconf, use CMake inste... tree | commitdiff
2010-07-29 Erik LindahlWorked around cross-inclusion problem between grompp... tree | commitdiff
2010-07-29 Erik LindahlRemoved deprecated nsb.h header tree | commitdiff
2010-07-29 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-29 Berkreplaced all size_t in t_enxblock by int to avoid casts tree | commitdiff
2010-07-29 Berkadded 12-6 wall potential tree | commitdiff
2010-07-29 Christoph JunghansMerge branch 'master' of git://git.gromacs.org/gromacs tree | commitdiff
2010-07-28 Christoph JunghansMerge branch 'master' of git://git.gromacs.org/gromacs tree | commitdiff
2010-07-28 Christoph Junghansfixed rest of include typos in headers tree | commitdiff
2010-07-28 Berk Hessrenamed pme_maxshift0/1 to pme_maxshift_x/y tree | commitdiff
2010-07-28 Christoph Junghansfixed some include typos in headers tree | commitdiff
2010-07-27 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-27 Erik LindahlAdded missing double prec. SSE2 header file tree | commitdiff
2010-07-27 Erik LindahlModified PDB io code to merely store the chain _identif... tree | commitdiff
2010-07-26 Erik LindahlAdded lots of missing cmakedefines to config.h.cmakein tree | commitdiff
2010-07-26 Sander PronkMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-26 Sander PronkAdded support for Windows _fseeki64. tree | commitdiff
2010-07-26 Sander PronkMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-26 Sander PronkFixed faulty commit. tree | commitdiff
2010-07-26 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-26 Sander PronkRemoved redundant header files from thread_mpi. tree | commitdiff
2010-07-26 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-26 Berk Hessadded natoms_force_constr to t_forcerec tree | commitdiff
2010-07-25 Erik LindahlResolved merge conflict tree | commitdiff
2010-07-25 Erik LindahlFixed bug for small systems in all-vs-all kernels,... tree | commitdiff
2010-07-25 Erik LindahlAdded a POSIX/Windows portable way to scan directories... tree | commitdiff
2010-07-24 Erik LindahlSecond batch of file modifications to enable Amber... tree | commitdiff
2010-07-24 Sander PronkNew .edr file format: now supports blocks of arbitrary... tree | commitdiff
2010-07-23 Berkresolved an exception issue which could make PME slow tree | commitdiff
2010-07-23 Berkhopefully fixed the genborn allocation issue tree | commitdiff
2010-07-22 Christoph Junghansfixed some include typos in headers tree | commitdiff
2010-07-22 Sander PronkSerialized access to FORTRAN bindings of gromacs's... tree | commitdiff
2010-07-21 Sander PronkRemoved reference to orig.h in thread_mpi Makefile.am tree | commitdiff
2010-07-21 Sander Pronkthread_mpi header files are now in sync with source... tree | commitdiff
2010-07-21 Berkcorrected the order of the parallel inputrec and state... tree | commitdiff
2010-07-19 Berk Hessfixed mdrun append check when requested output file... tree | commitdiff
2010-07-14 Carsten KutznerFixed several minor issues in ED/flooding module tree | commitdiff
2010-07-12 David van der SpoelMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-07-10 Michael ShirtsFixed minor formatting conflict. tree | commitdiff
2010-07-10 Michael ShirtsFixing the include file definition for trotter_update. tree | commitdiff
2010-07-08 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-07 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-07 David van der SpoelFixed miserable bug in commrec.h where an int array... tree | commitdiff
2010-07-06 Per LarssonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-07-06 Berk Hessadded mdp parameter for FE dH tables tree | commitdiff
2010-07-05 Maarten WolfMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-07-05 Sander PronkAdded option to ingore fsync failures. tree | commitdiff
2010-07-05 Berk Hessremoved a lot of slow FFT grid sizes from calc_grid... tree | commitdiff
2010-07-05 Maarten WolfMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-07-05 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-05 Sander PronkAdded missing include files in thread_mpi tree | commitdiff
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