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

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2014-04-02	Berk Hess	Added LJ-PME and LJ Pot-switch to PME load estimate	commit \| commitdiff \| tree
2014-04-02	Mark Abraham	Re-use gmx_greatest_common_divisor()	commit \| commitdiff \| tree
2014-04-01	Teemu Murtola	Move smalloc.h to utility/	commit \| commitdiff \| tree
2014-03-31	David van der Spoel	Fixed compilation issue in fgrid.cpp due to int/enum	commit \| commitdiff \| tree
2014-03-31	Mark Abraham	Remove quote	commit \| commitdiff \| tree
2014-03-31	Rossen Apostolov	Added CMake support for Extrae.	commit \| commitdiff \| tree
2014-03-31	Teemu Murtola	Clean up smalloc.h	commit \| commitdiff \| tree
2014-03-31	Carsten Kutzner	Fix documentation of swap/enums.h	commit \| commitdiff \| tree
2014-03-31	Roland Schulz	Disable shared libraries by default for mdrun-only	commit \| commitdiff \| tree
2014-03-31	Teemu Murtola	Remove dependency on commandline/ from oenv.cpp	commit \| commitdiff \| tree
2014-03-29	Christian Wennberg	Free-energy support for LJ-PME	commit \| commitdiff \| tree
2014-03-29	Teemu Murtola	Optimize intermodule dependencies	commit \| commitdiff \| tree
2014-03-29	Teemu Murtola	Improve version information handling	commit \| commitdiff \| tree
2014-03-29	Teemu Murtola	Better include dependency graph generator	commit \| commitdiff \| tree
2014-03-28	Carsten Kutzner	Fix documentation issues for interactive MD module.	commit \| commitdiff \| tree
2014-03-28	Christian Wennberg	New VDW kernel flavour for LJ-PME and updated group...	commit \| commitdiff \| tree
2014-03-26	Daniel Landau	Add Cray compiler support	commit \| commitdiff \| tree
2014-03-26	Carsten Kutzner	Documentation house-keeping in file swapcoords.c	commit \| commitdiff \| tree
2014-03-26	Martin Hoefling	Interactive Molecular Dynamics (IMD)	commit \| commitdiff \| tree
2014-03-23	Mark Abraham	Keep CMake quiet about non-detection of optional stuff	commit \| commitdiff \| tree
2014-03-23	Berk Hess	Fixed bug in parallel v/f constraining	commit \| commitdiff \| tree
2014-03-23	Berk Hess	CUDA cut-off kernels now shift exclusion energies	commit \| commitdiff \| tree
2014-03-23	Mark Abraham	Fix print_date_and_time	commit \| commitdiff \| tree
2014-03-18	Roland Schulz	Fix dependencies on config.h for typedefs.h	commit \| commitdiff \| tree
2014-03-18	Christian Wennberg	Bugfix in LJ-PME without electrostatics	commit \| commitdiff \| tree
2014-03-18	Mark Abraham	Removed more stuff related to gmx.ff and gmx2.ff	commit \| commitdiff \| tree
2014-03-18	Teemu Murtola	Remove interactive help from core selection parser	commit \| commitdiff \| tree
2014-03-18	Teemu Murtola	Improve interactive selection input	commit \| commitdiff \| tree
2014-03-17	Rossen Apostolov	Cleaned up endif/else-s in CMakeLists.txt and *.cmake...	commit \| commitdiff \| tree
2014-03-17	Mark Abraham	Merge "Merge branch release-4-6"	commit \| commitdiff \| tree
2014-03-17	Mark Abraham	Fix perturbation to Verlet scheme when not perturbing	commit \| commitdiff \| tree
2014-03-14	Carsten Kutzner	Avoid cross product with zero vector in rotational...	commit \| commitdiff \| tree
2014-03-11	Mark Abraham	Fix MKL linking	commit \| commitdiff \| tree
2014-03-11	Mark Abraham	Avoid array-bounds warnings with gcc 4.8.2	commit \| commitdiff \| tree
2014-03-11	Roland Schulz	Simplify gmxTestLibXml2	commit \| commitdiff \| tree
2014-03-11	Berk Hess	PME load balancing now works with LJ-PME	commit \| commitdiff \| tree
2014-03-11	Teemu Murtola	Fix misc. Doxygen issues	commit \| commitdiff \| tree
2014-03-11	Roland Schulz	Fix CheckCXXCompilerFlag	commit \| commitdiff \| tree
2014-03-11	Szilárd Páll	Bump required CUDA version to 4.0	commit \| commitdiff \| tree
2014-03-11	Roland Schulz	Replace inline with gmx_inline	commit \| commitdiff \| tree
2014-03-10	Mark Abraham	Fix dependency on swapcoords enums	commit \| commitdiff \| tree
2014-03-06	Roland Schulz	Remove KERNEL_WIDTH	commit \| commitdiff \| tree
2014-03-06	Rossen Apostolov	Removed the deprecated gmx.ff and gmx2.ff.	commit \| commitdiff \| tree
2014-03-06	Roland Schulz	Use gmx_int64_t for gmx_off_t	commit \| commitdiff \| tree
2014-03-06	Berk Hess	Fixed exit with FEP with PME nodes without LJ-PME	commit \| commitdiff \| tree
2014-03-06	ngoga	Martini CG - Combined angle-torsion potentials	commit \| commitdiff \| tree
2014-03-06	David van der Spoel	Six new quotes from classic literature.	commit \| commitdiff \| tree
2014-03-05	Roland Schulz	Remove dependency on TNG in trxio.h	commit \| commitdiff \| tree
2014-03-05	Roland Schulz	Report MIC SIMD correctly	commit \| commitdiff \| tree
2014-03-05	Mark Abraham	Merge "Merge release-4-6 into master"	commit \| commitdiff \| tree
2014-03-05	Berk Hess	Buffer estimate now works with rvd-switch=0	commit \| commitdiff \| tree
2014-03-05	Roland Schulz	Check zlib can actually be linked	commit \| commitdiff \| tree
2014-03-05	Roland Schulz	Avoid segfault when comparing tpr	commit \| commitdiff \| tree
2014-03-04	Mark Abraham	Add enum and docs for using tpx_version	commit \| commitdiff \| tree
2014-03-02	Teemu Murtola	Fix incorrect grid cell size in g_sas -nopbc	commit \| commitdiff \| tree
2014-03-01	Teemu Murtola	Move default library path search to program context	commit \| commitdiff \| tree
2014-03-01	Mark Abraham	Add fatal error for Andersen+constraints+DD	commit \| commitdiff \| tree
2014-03-01	Christoph Junghans	switch ld_seed from int to gmx_int64_t	commit \| commitdiff \| tree
2014-03-01	Szilard Pall	Added CUDA LJ-PME nbnxn kernels	commit \| commitdiff \| tree
2014-02-27	Teemu Murtola	Improve support for data sets in C++ tools	commit \| commitdiff \| tree
2014-02-27	Szilard Pall	CUDA kernels for switched LJ	commit \| commitdiff \| tree
2014-02-27	Teemu Murtola	Improve floating point comparisons in unit tests	commit \| commitdiff \| tree
2014-02-26	Berk Hess	Free-energy now works with the Verlet scheme	commit \| commitdiff \| tree
2014-02-26	Alexey Shvetsov	Fix -Wmaybe-uninitialized warnings in some files	commit \| commitdiff \| tree
2014-02-26	Teemu Murtola	Misc. Doxygen build system improvements	commit \| commitdiff \| tree
2014-02-26	Erik Lindahl	Added message to warn that group kernels are deprecated.	commit \| commitdiff \| tree
2014-02-26	Michael Shirts	Updating and improving Andersen thermostat documentation	commit \| commitdiff \| tree
2014-02-26	Roland Schulz	ICC aliasing optimization flags	commit \| commitdiff \| tree
2014-02-26	Roland Schulz	Replace all mdrun rngs with cycle based rng	commit \| commitdiff \| tree
2014-02-26	Mark Abraham	Add ThreadSanitizer build type	commit \| commitdiff \| tree
2014-02-25	Berk Hess	Fixes seperate PME nodes without LJ-PME	commit \| commitdiff \| tree
2014-02-24	Berk Hess	Fixed bug with LJ pot-switch in 4xN kernels	commit \| commitdiff \| tree
2014-02-24	Mark Abraham	Permit warning-free use of Andersen thermostat	commit \| commitdiff \| tree
2014-02-24	Mark Abraham	Suppress icc warning for Boost 1.55 use of #pragma...	commit \| commitdiff \| tree
2014-02-23	Rossen Apostolov	Removed deprecated Encad FF.	commit \| commitdiff \| tree
2014-02-21	Roland Schulz	Fix load_lj_pair_params2 for MIC	commit \| commitdiff \| tree
2014-02-21	Roland Schulz	Updated Boost to latest 1.55.0	commit \| commitdiff \| tree
2014-02-21	Roland Schulz	Merge "Merge release-4-6 into master"	commit \| commitdiff \| tree
2014-02-20	Mark Abraham	Remove particle decomposition	commit \| commitdiff \| tree
2014-02-20	Christoph Junghans	added gmx_is_{single,double}_precision	commit \| commitdiff \| tree
2014-02-20	Roland Schulz	Fix aligned store to unaligned memory	commit \| commitdiff \| tree
2014-02-20	Mark Abraham	avoid mdrun crash when rdtscp is not supported	commit \| commitdiff \| tree
2014-02-20	Mark Abraham	Add integration tests for replica exchange	commit \| commitdiff \| tree
2014-02-20	Roland Schulz	Fix Reference Build	commit \| commitdiff \| tree
2014-02-20	Teemu Murtola	Add documentation for using Doxygen	commit \| commitdiff \| tree
2014-02-19	Mark Abraham	Make some variable names less cryptic	commit \| commitdiff \| tree
2014-02-18	Mark Abraham	Fix harmless bug with combination of group and twin...	commit \| commitdiff \| tree
2014-02-17	Roland Schulz	Enable more warnings	commit \| commitdiff \| tree
2014-02-16	Carsten Kutzner	Small enhancement of computational electrophysiology...	commit \| commitdiff \| tree
2014-02-16	Teemu Murtola	Improve man page formatting slightly	commit \| commitdiff \| tree
2014-02-16	Teemu Murtola	Fix default enum values in help output	commit \| commitdiff \| tree
2014-02-13	Magnus Lundborg	Removed option to use OpenMP with the TNG library.	commit \| commitdiff \| tree
2014-02-12	Mark Abraham	Re-fix compiler warnings with scanner.cpp	commit \| commitdiff \| tree
2014-02-11	Mark Abraham	Split genbox into 'solvate' and 'insert-molecules'	commit \| commitdiff \| tree
2014-02-11	David van der Spoel	Fixed another vmdio issue.	commit \| commitdiff \| tree
2014-02-11	Erik Lindahl	First part of commit for redesigned SIMD module - namechanges.	commit \| commitdiff \| tree
2014-02-11	Magnus Lundborg	Added information about how to cite the TNG paper.	commit \| commitdiff \| tree
2014-02-09	Mark Abraham	Move orientation restraints checks inside init function	commit \| commitdiff \| tree
2014-02-09	Teemu Murtola	Refactor new help formatting implementation	commit \| commitdiff \| tree
2014-02-08	Mark Abraham	Clean up .log file dump of inputrec	commit \| commitdiff \| tree
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