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fix CUDA non-bonded kernel pointer assignment
[alexxy/gromacs.git] / src /
2012-10-22 Szilard Pallfix CUDA non-bonded kernel pointer assignment tree | commitdiff
2012-10-22 Roland SchulzFix clang 3.2 unintialized variable warnings tree | commitdiff
2012-10-19 Roland SchulzMerge "[tools] Allow g_dist to use default index group... tree | commitdiff
2012-10-19 KassonMerge "renamed constraint variables rmdr to vir_r_m_dr... tree | commitdiff
2012-10-19 Roland SchulzMerge "renamed pme_switch... to pme_loadbal..." into... tree | commitdiff
2012-10-18 Roland SchulzMerge "Added thread affinity API to thread_mpi." into... tree | commitdiff
2012-10-18 Berk Hessrenamed constraint variables rmdr to vir_r_m_dr tree | commitdiff
2012-10-18 Berk Hessadded OpenMP parallelization to LINCS projection tree | commitdiff
2012-10-18 Alexey Shvetsov[tools] Allow g_dist to use default index group tree | commitdiff
2012-10-17 Berk Hessrenamed pme_switch... to pme_loadbal... tree | commitdiff
2012-10-17 KassonMerge "Make Gromacs compile without C++ compiler" into... tree | commitdiff
2012-10-16 Roland SchulzMerge "made pair-search with GPU 20% faster" into relea... tree | commitdiff
2012-10-16 Carsten KutznerMade g_tune_pme read (ns/day) from 4.6 md.log output... tree | commitdiff
2012-10-16 Berk Hessmade pair-search with GPU 20% faster tree | commitdiff
2012-10-15 Sander PronkAdded thread affinity API to thread_mpi. tree | commitdiff
2012-10-13 David van der SpoelMerge "Fixing issues with replica exchange" into releas... tree | commitdiff
2012-10-13 Mark AbrahamFixed install-xxx functionality broken in 9628e27d tree | commitdiff
2012-10-12 Berk HessMerge "Fix illegal barrier in worksharing" into release-4-6 tree | commitdiff
2012-10-12 Roland SchulzFix illegal barrier in worksharing tree | commitdiff
2012-10-12 Michael ShirtsFixing issues with replica exchange tree | commitdiff
2012-10-08 Berk Hessmade non-bonded potential shifts mdp options tree | commitdiff
2012-10-06 Roland SchulzFix incorrect free tree | commitdiff
2012-10-04 Berk Hessfixed backward compatibility of tpr files with dihres tree | commitdiff
2012-10-03 Sander PronkAdded two #defines that state the gromacs API + program... tree | commitdiff
2012-10-03 Berk Hessimproved the energy conservation with SETTLE tree | commitdiff
2012-10-02 Szilard Palladded Verlet scheme and NxN non-bonded functionality tree | commitdiff
2012-10-01 Roland SchulzMerge release-4-5-patches into release-4-6 tree | commitdiff
2012-09-30 Roland SchulzFix problems found by cppcheck 1.56 tree | commitdiff
2012-09-27 Christoph JunghansMerge "Fixed an off-by-one error in atom counting in... tree | commitdiff
2012-09-27 Teemu MurtolaMerge "Fix insolidangle selections near poles." into... tree | commitdiff
2012-09-27 Sander PronkFixed an off-by-one error in atom counting in gmx_dist. tree | commitdiff
2012-09-25 Christoph JunghansMerge "Fix REMD use of gmx_large_int_t for #steps varia... tree | commitdiff
2012-09-24 Teemu MurtolaAdd pdbname selection keyword. tree | commitdiff
2012-09-24 KassonMerge "Fixed segfault with FE code for older tpr files... tree | commitdiff
2012-09-24 Mark AbrahamFix REMD use of gmx_large_int_t for #steps variable tree | commitdiff
2012-09-18 Teemu MurtolaFixes for numeric and position selection variables. tree | commitdiff
2012-09-17 Mark AbrahamMade construction of parallel filenames less noisy tree | commitdiff
2012-09-16 Teemu MurtolaFix insolidangle selections near poles. tree | commitdiff
2012-09-15 KassonMerge "Fix some memory leaks." into release-4-5-patches tree | commitdiff
2012-09-15 David van der SpoelMerge "Adapted NMR related data to new pdb format.... tree | commitdiff
2012-09-14 Christoph JunghansMerge "fixed recent bug with grompp check for P-R P... tree | commitdiff
2012-09-13 Berk Hessfixed recent bug with grompp check for P-R P-coupling tree | commitdiff
2012-09-13 Roland SchulzBackport of md-vv rerun check from c7a82654f2eb8992 tree | commitdiff
2012-09-13 Sander PronkFixed a deadlock in tMPI_Comm_free() tree | commitdiff
2012-09-13 Teemu MurtolaFix some memory leaks. tree | commitdiff
2012-09-12 Mark AbrahamMerge "Don't fail linking if man page building fails... tree | commitdiff
2012-09-10 Christoph Junghansupdated references tree | commitdiff
2012-09-10 Roland SchulzMerge "Update use of CPack components and add install... tree | commitdiff
2012-09-10 Mark AbrahamCorrected REMD citation tree | commitdiff
2012-09-07 Christoph JunghansMerge "Fix VMD plugins on Windows" into release-4-6 tree | commitdiff
2012-09-07 Christoph JunghansMerge "Check that gmx_detectcpu runs correctly" into... tree | commitdiff
2012-09-06 Roland SchulzFix illegal call to MPI without being initialized tree | commitdiff
2012-09-06 Roland SchulzMerge "Fixed .g96 trajectory reading." into release... tree | commitdiff
2012-09-05 Sander PronkFixed an undefined return value in tMPI_Scan() tree | commitdiff
2012-09-04 Christoph JunghansMerge "Fixes too many backup files for *.nroff files... tree | commitdiff
2012-09-03 Sander PronkFixed .g96 trajectory reading. tree | commitdiff
2012-09-03 KassonMerge "Document correct comm_mode option" into release... tree | commitdiff
2012-09-03 KassonMerge "Improved pdb2gmx output" into release-4-5-patches tree | commitdiff
2012-09-03 Szilard PallMerge branch 'release-4-5-patches' into release-4-6 tree | commitdiff
2012-09-02 Roland SchulzFix stack error in grompp tree | commitdiff
2012-08-31 Mark AbrahamUpdate use of CPack components and add install targets tree | commitdiff
2012-08-31 Mark AbrahamImproved pdb2gmx output tree | commitdiff
2012-08-29 Berk Hessbug fix for pme.c MPI_COMM_NULL fix dcf8b67e tree | commitdiff
2012-08-23 Sander PronkNewer version of thread_mpi, with various fixes, includ... tree | commitdiff
2012-08-23 Sander PronkFixed segfault with FE code for older tpr files. tree | commitdiff
2012-08-20 Christoph JunghansMerge "Fixing of things associated with aminoacid.rtp... tree | commitdiff
2012-08-20 Christoph JunghansMerge "Clean up some variable naming for eigensolving... tree | commitdiff
2012-08-20 Christoph JunghansMerge "Fix coordinate is zero check in gmxcheck" into... tree | commitdiff
2012-08-20 Christoph JunghansMerge "Explicitly noted an issue with use of genbox... tree | commitdiff
2012-08-18 Roland SchulzMerge "fix AdResS and long-range electrostatics warning... tree | commitdiff
2012-08-16 Roland SchulzFix coordinate is zero check in gmxcheck tree | commitdiff
2012-08-16 David van der SpoelOptional computation of fluct. props in g_energy. Fixes... tree | commitdiff
2012-08-14 Mark AbrahamExplicitly noted an issue with use of genbox -maxsol tree | commitdiff
2012-08-14 Mark AbrahamDon't silently accept genbox -nmol without -ci tree | commitdiff
2012-08-13 Christoph Junghansfix AdResS and long-range electrostatics warning tree | commitdiff
2012-08-11 Mark AbrahamClean up some variable naming for eigensolving tree | commitdiff
2012-08-11 Roland SchulzGuarantee OpenMP flags for linker and make them user... tree | commitdiff
2012-08-11 Mark AbrahamFixing of things associated with aminoacid.rtp header tree | commitdiff
2012-08-09 Berk Hessfixed trjconv not writing velocities with cpt input tree | commitdiff
2012-08-07 Christoph JunghansMerge "fixed incorrect TPI results with dynamic box... tree | commitdiff
2012-08-07 Carsten KutznerFixed essential dynamics / flooding group PBC serial tree | commitdiff
2012-08-06 Berk Hessfixed incorrect TPI results with dynamic box tree | commitdiff
2012-08-06 Christoph JunghansMerge "Added comment in get_structure about which struc... tree | commitdiff
2012-08-06 Carsten KutznerFixed calculation of projection for STAR and/or SORI tree | commitdiff
2012-08-06 Carsten KutznerAdded comment in get_structure about which structures... tree | commitdiff
2012-08-04 Roland SchulzMerge "Fixed segv in essential dynamics module" into... tree | commitdiff
2012-08-03 Carsten KutznerFixed segv in essential dynamics module tree | commitdiff
2012-08-03 Roland SchulzFix overlapping memcpy tree | commitdiff
2012-08-02 Christoph JunghansAdd note about SD integrator and t-coupling tree | commitdiff
2012-08-01 Roland SchulzFix use after free memory error with adress tree | commitdiff
2012-07-31 Michael ShirtsAdded a check for efep that was missing. tree | commitdiff
2012-07-31 Christoph JunghansMerge "Clarified reasons for termination of EM" into... tree | commitdiff
2012-07-30 Mark AbrahamClarified reasons for termination of EM tree | commitdiff
2012-07-29 Michael ShirtsFix in when to call the constraints for andersen. tree | commitdiff
2012-07-29 Roland SchulzFix Segfaults in Genion tree | commitdiff
2012-07-26 Roland SchulzFix that VMD version check was performed for binary... tree | commitdiff
2012-07-25 Roland SchulzMerge "cmake: allow switch between single and double... tree | commitdiff
2012-07-25 Roland SchulzMerge "fix a segfault in sse_mask_init" into release-4-6 tree | commitdiff
2012-07-24 Mark AbrahamClean up of environment variables tree | commitdiff
2012-07-18 Berk Hessfixed DD charge group displacement error check tree | commitdiff
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