BioD PNPI Git Repos - alexxy/gromacs.git/search

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2014-12-15	Roland Schulz	Fix NVML detection on Windows	commit \| commitdiff \| tree
2014-12-15	Teemu Murtola	Use new XML format with cppcheck	commit \| commitdiff \| tree
2014-12-13	Roland Schulz	Use bitmask for bonded	commit \| commitdiff \| tree
2014-12-13	David van der Spoel	Four new quotes from around the world.	commit \| commitdiff \| tree
2014-12-13	Mark Abraham	Remove heuristic group-scheme neighbour-list updates	commit \| commitdiff \| tree
2014-12-13	Mark Abraham	Fix latent bug in OpenMP initialization	commit \| commitdiff \| tree
2014-12-11	Teemu Murtola	Convert gmx rdf to the C++ framework	commit \| commitdiff \| tree
2014-12-10	Teemu Murtola	Fix misc. analysis neighborhood search issues	commit \| commitdiff \| tree
2014-12-09	Teemu Murtola	Track locations for selection parsing products	commit \| commitdiff \| tree
2014-12-08	Mark Abraham	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2014-12-08	Teemu Murtola	Rectangular grid for analysis nbsearch	commit \| commitdiff \| tree
2014-12-08	Mark Abraham	Add basic GPU support for gmx tune-pme	commit \| commitdiff \| tree
2014-12-06	Teemu Murtola	Simplify analysisdata parallelism model	commit \| commitdiff \| tree
2014-12-05	Jiri Kraus	Add optional NVIDIA Management Library (NVML) Integration	commit \| commitdiff \| tree
2014-12-05	Mark Abraham	Clean up non-PME part of ewald module	commit \| commitdiff \| tree
2014-12-05	Mark Abraham	Make mdrun print the list of compatible GPUs	commit \| commitdiff \| tree
2014-12-05	Mark Abraham	Created do_force_listed and moved code to the module	commit \| commitdiff \| tree
2014-12-05	Berk Hess	Make domdec a proper module	commit \| commitdiff \| tree
2014-12-05	Berk Hess	Clarified grompp pull error messages	commit \| commitdiff \| tree
2014-12-05	Teemu Murtola	Improve selection parsing error reporting	commit \| commitdiff \| tree
2014-12-05	Berk Hess	Avoid race on dvdl with Verlet+OpenMP+LINCS+FE+VV	commit \| commitdiff \| tree
2014-12-05	Teemu Murtola	Non-periodic nbsearch with grid based on bounding box	commit \| commitdiff \| tree
2014-12-04	Teemu Murtola	Move/add uncrustify documentation to dev manual	commit \| commitdiff \| tree
2014-12-02	Teemu Murtola	Add 'gmx pairdist' tool as partial g_mindist replacement	commit \| commitdiff \| tree
2014-12-02	Teemu Murtola	Analysis grid nbsearch for more cases	commit \| commitdiff \| tree
2014-12-01	Berk Hess	Added warning for unnecessary soft-core	commit \| commitdiff \| tree
2014-11-29	Teemu Murtola	Basic support for 'z of ...' selections	commit \| commitdiff \| tree
2014-11-29	Szilárd Páll	Add kernel and compiler suport for CC 3.7 devices	commit \| commitdiff \| tree
2014-11-29	Christian Wennberg	Fixed typo in amber99sb-ildn force field	commit \| commitdiff \| tree
2014-11-28	Teemu Murtola	Clarify memory management for selection values	commit \| commitdiff \| tree
2014-11-28	Teemu Murtola	Helper function for grouping selection positions	commit \| commitdiff \| tree
2014-11-28	David van der Spoel	Fixes recently introduced bug in gmx analyze.	commit \| commitdiff \| tree
2014-11-27	Mark Abraham	Remove use of interaction_mask_indices on BG/Q	commit \| commitdiff \| tree
2014-11-27	Teemu Murtola	Port gmx-solvate tests to use CommandLineTestBase	commit \| commitdiff \| tree
2014-11-27	Mark Abraham	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2014-11-27	Teemu Murtola	Further insert-molecules cleanup	commit \| commitdiff \| tree
2014-11-26	Teemu Murtola	Add some unit tests for surface area calculation	commit \| commitdiff \| tree
2014-11-26	Mark Abraham	Fix trjconv modifying fr.time unnecessarily	commit \| commitdiff \| tree
2014-11-26	Ake Sandgren	Fix problem with mixed affinity mask on different nodes.	commit \| commitdiff \| tree
2014-11-26	Berk Hess	Fixed triclinic 1xNx1 domain decomposition	commit \| commitdiff \| tree
2014-11-26	Mark Abraham	Move code to domdec module folder	commit \| commitdiff \| tree
2014-11-25	Berk Hess	Fixed twin-range + freeze + constraints	commit \| commitdiff \| tree
2014-11-24	Magnus Lundborg	When writing TNG the input must contain molecule data.	commit \| commitdiff \| tree
2014-11-23	Teemu Murtola	Rename doc-* targets to be less generic	commit \| commitdiff \| tree
2014-11-23	Roland Schulz	Set GMX_SIMD to MIC for Xeon Phi	commit \| commitdiff \| tree
2014-11-21	Teemu Murtola	Skeleton for a developer manual	commit \| commitdiff \| tree
2014-11-17	Szilárd Páll	Add CUDA compiler support for CC 5.0	commit \| commitdiff \| tree
2014-11-14	Teemu Murtola	Refactor position-evaluated selection keyword handling	commit \| commitdiff \| tree
2014-11-12	Roland Schulz	Use stat to check that paths are equivalent	commit \| commitdiff \| tree
2014-11-12	Berk Hess	Corrected parameter for sorting on search grid	commit \| commitdiff \| tree
2014-11-12	Berk Hess	Fix DD bonded interaction range print	commit \| commitdiff \| tree
2014-11-12	Roland Schulz	Add bitmask type	commit \| commitdiff \| tree
2014-11-12	Carsten Kutzner	Updated some .mdp file variables to use "-" instead...	commit \| commitdiff \| tree
2014-11-09	Justin Lemkul	Removed spurious GLY dihedral in AMBER03.	commit \| commitdiff \| tree
2014-11-09	Roland Schulz	Fix CMP0054 cmake 3.1.0 warnings	commit \| commitdiff \| tree
2014-10-30	Teemu Murtola	Fix memory leak in default index group creation	commit \| commitdiff \| tree
2014-10-30	Roland Schulz	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2014-10-29	Teemu Murtola	Improve analysis nbsearch grid mapping	commit \| commitdiff \| tree
2014-10-26	Roland Schulz	Add Windows support for host-/username	commit \| commitdiff \| tree
2014-10-22	Teemu Murtola	Move basic macros from common.h to basedefinitions.h	commit \| commitdiff \| tree
2014-10-22	Roland Schulz	Remove Catamount cmake	commit \| commitdiff \| tree
2014-10-21	Roland Schulz	Fix C++11 flags for MingW	commit \| commitdiff \| tree
2014-10-20	Roland Schulz	Create scoped_cptr to replace scoped_ptr_sfree	commit \| commitdiff \| tree
2014-10-20	Berk Hess	Removed f_novirsum reduction in Verlet scheme	commit \| commitdiff \| tree
2014-10-20	Carsten Kutzner	Fix order of ED/swap blocks during checkpoint reading.	commit \| commitdiff \| tree
2014-10-14	David van der Spoel	Reorganizing analysis of correlation functions.	commit \| commitdiff \| tree
2014-10-14	Teemu Murtola	Use analysis nbsearch in insert-molecules	commit \| commitdiff \| tree
2014-10-12	Roland Schulz	Fix misidentification of dot in path name	commit \| commitdiff \| tree
2014-10-11	Teemu Murtola	Generalize command-line unit testing machinery	commit \| commitdiff \| tree
2014-10-05	Roland Schulz	Allow runAsMainSingleModule to be called more than...	commit \| commitdiff \| tree
2014-10-03	Mark Abraham	Move pair-interaction code into listed-forces module	commit \| commitdiff \| tree
2014-10-03	Teemu Murtola	More robust handling for installed headers	commit \| commitdiff \| tree
2014-09-30	Erik Lindahl	Add Power8 VSX SIMD support	commit \| commitdiff \| tree
2014-09-30	Szilard Pall	Fix incorrect LJ cut-off with GPU + PME tuning	commit \| commitdiff \| tree
2014-09-30	Berk Hess	Avoid DLB with overloaded PME ranks	commit \| commitdiff \| tree
2014-09-30	Berk Hess	Added GPU local wait to load balancing	commit \| commitdiff \| tree
2014-09-30	Erik Lindahl	Avoid using function calls in OpenMP directives	commit \| commitdiff \| tree
2014-09-29	Berk Hess	Domain decomposition now checks the rlist buffer	commit \| commitdiff \| tree
2014-09-29	Roland Schulz	Clarify GCC+Win+AVX warning	commit \| commitdiff \| tree
2014-09-29	Berk Hess	SIMD acceleration for RB dihedrals	commit \| commitdiff \| tree
2014-09-29	Mark Abraham	Merge "Merge release-4-6 into release-5-0" into release-5-0	commit \| commitdiff \| tree
2014-09-29	Berk Hess	Avoid PME tuning decreasing rcoulomb	commit \| commitdiff \| tree
2014-09-29	Berk Hess	Fix calc_grid avoiding PME grid factor 84	commit \| commitdiff \| tree
2014-09-26	Rossen Apostolov	Converted swap module to C++.	commit \| commitdiff \| tree
2014-09-23	Mark Abraham	Renamed bonded module as 'listed-forces'	commit \| commitdiff \| tree
2014-09-23	Mark Abraham	Refactor mdrun integration tests	commit \| commitdiff \| tree
2014-09-23	Roland Schulz	Fix ICC warnings	commit \| commitdiff \| tree
2014-09-23	David van der Spoel	Fixes potential bug in neighborsearching.	commit \| commitdiff \| tree
2014-09-23	Teemu Murtola	Generate man pages and completions by default if possible	commit \| commitdiff \| tree
2014-09-22	Teemu Murtola	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2014-09-20	Teemu Murtola	Remove duplication in version info target creation	commit \| commitdiff \| tree
2014-09-20	Erik Lindahl	Added a bunch of new and old quotes.	commit \| commitdiff \| tree
2014-09-20	Teemu Murtola	Fix patterns for .gitattributes	commit \| commitdiff \| tree
2014-09-20	Roland Schulz	Minor performance improments	commit \| commitdiff \| tree
2014-09-19	Teemu Murtola	Proper dependencies for Doxygen build rules	commit \| commitdiff \| tree
2014-09-19	Teemu Murtola	Fix histogram resampling output bin positions	commit \| commitdiff \| tree
2014-09-19	Teemu Murtola	Embed module dependency graph in Doxygen docs	commit \| commitdiff \| tree
2014-09-19	Teemu Murtola	More precise analysisdata histogram accumulation	commit \| commitdiff \| tree
2014-09-19	Teemu Murtola	Misc. Doxygen build system improvements	commit \| commitdiff \| tree
2014-09-18	Roland Schulz	Fix double linkage for tests	commit \| commitdiff \| tree
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