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

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2013-09-01	Teemu Murtola	Merge "Merge branch release-4-6 into master"	commit \| commitdiff \| tree
2013-08-30	David van der Spoel	Updated g_cluster	commit \| commitdiff \| tree
2013-08-30	Teemu Murtola	Clean-up and improvements in C++ tools.	commit \| commitdiff \| tree
2013-08-24	Teemu Murtola	Fine-tune copyright printing.	commit \| commitdiff \| tree
2013-08-21	Teemu Murtola	Statistics for gmx-distance.	commit \| commitdiff \| tree
2013-08-21	Teemu Murtola	Lifetime statistics into gmx-select.	commit \| commitdiff \| tree
2013-08-20	Mark Abraham	Remove OpenMM	commit \| commitdiff \| tree
2013-08-16	Teemu Murtola	Replacement for g_bond and g_dist.	commit \| commitdiff \| tree
2013-08-11	Teemu Murtola	Support for multiple analysis data sets in modules.	commit \| commitdiff \| tree
2013-08-11	Teemu Murtola	Base support for multiple analysisdata data sets.	commit \| commitdiff \| tree
2013-08-10	Teemu Murtola	Remove superfluous selection names from refdata.	commit \| commitdiff \| tree
2013-08-10	Teemu Murtola	Add check for unsorted index groups in selections.	commit \| commitdiff \| tree
2013-08-09	Teemu Murtola	Treat exceptions better in interactive selections.	commit \| commitdiff \| tree
2013-08-05	Teemu Murtola	Add unit tests for index groups in selections.	commit \| commitdiff \| tree
2013-08-04	Teemu Murtola	Add unit test coverage for simple selection keywords.	commit \| commitdiff \| tree
2013-08-03	Teemu Murtola	File utils to C++.	commit \| commitdiff \| tree
2013-08-02	Teemu Murtola	Add an option to disable all asserts for coverage.	commit \| commitdiff \| tree
2013-08-01	Mark Abraham	Fixed example code function name	commit \| commitdiff \| tree
2013-07-30	Mark Abraham	Removed unused variables	commit \| commitdiff \| tree
2013-07-30	Teemu Murtola	Handle wrapper binary options also for symlinks.	commit \| commitdiff \| tree
2013-07-30	Teemu Murtola	Better command-line option handling for tests.	commit \| commitdiff \| tree
2013-07-25	Justin Lemkul	Updated dlist.c to recognize more atom names.	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sparc64_hpc_ace_double: clean up -Wunused...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sse4_1_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sse2_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_256_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_128_fma_double: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sse2_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_sse4_1_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_128_fma_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nb_kernel_avx_256_single: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Mark Abraham	Clarified logic in g_wham	commit \| commitdiff \| tree
2013-07-25	Mark Abraham	Find mkl.h on more icc versions	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	nonbonded and nb_kernel_c: clean up -Wunused-parameter...	commit \| commitdiff \| tree
2013-07-25	Alexey Shvetsov	mdlib: clean up -Wunused-parameter warnings	commit \| commitdiff \| tree
2013-07-25	Mark Abraham	Update management of linear algebra libraries	commit \| commitdiff \| tree
2013-07-25	Teemu Murtola	Add unit tests for selection position calculation.	commit \| commitdiff \| tree
2013-07-24	Mark Abraham	Add five new quotes	commit \| commitdiff \| tree
2013-07-24	Teemu Murtola	Fix pthread detection for GMock	commit \| commitdiff \| tree
2013-07-24	Berk Hess	implemented plain-C SIMD macros for reference	commit \| commitdiff \| tree
2013-07-24	Mark Abraham	Removed buggy -seppot output	commit \| commitdiff \| tree
2013-07-24	Roland Schulz	Merge "Merge branch release-4-6 into master"	commit \| commitdiff \| tree
2013-07-22	Teemu Murtola	Convenience methods for implementing main().	commit \| commitdiff \| tree
2013-07-22	Teemu Murtola	Improve program name reporting.	commit \| commitdiff \| tree
2013-07-21	Teemu Murtola	Uniform "generated by" information in output files.	commit \| commitdiff \| tree
2013-07-20	Teemu Murtola	Options for controlling startup output.	commit \| commitdiff \| tree
2013-07-20	Teemu Murtola	Be less verbose with program options.	commit \| commitdiff \| tree
2013-07-19	Teemu Murtola	Pre-emptively fix some C++ warnings.	commit \| commitdiff \| tree
2013-07-19	Teemu Murtola	Uniform and less verbose startup for all binaries.	commit \| commitdiff \| tree
2013-07-19	Teemu Murtola	Extract Doxygen comments within #ifdef __cplusplus.	commit \| commitdiff \| tree
2013-07-18	Mark Abraham	Fixed pdb2gmx -vsite hydrogen -o conf.pdb	commit \| commitdiff \| tree
2013-07-17	Teemu Murtola	Support for storing multipoint analysis data.	commit \| commitdiff \| tree
2013-07-17	David van der Spoel	Added citation to free volume paper.	commit \| commitdiff \| tree
2013-07-14	Mark Abraham	Fixed possible dereference of null pointer	commit \| commitdiff \| tree
2013-07-11	Mark Abraham	Fixed typos in #include guard #defines	commit \| commitdiff \| tree
2013-07-09	Mark Abraham	Remove orphan CMake file	commit \| commitdiff \| tree
2013-07-07	Mark Abraham	Fixed minor admin issues	commit \| commitdiff \| tree
2013-07-05	Mark Abraham	Bump version after 4.6.3 release	commit \| commitdiff \| tree
2013-07-03	Teemu Murtola	Split AnalysisDataStorageFrame into two.	commit \| commitdiff \| tree
2013-07-03	Teemu Murtola	Switch remaining main() functions and copyrite.c to...	commit \| commitdiff \| tree
2013-07-03	Teemu Murtola	Remove g_highway and vbox.c.	commit \| commitdiff \| tree
2013-07-03	Teemu Murtola	Further copyrite.h cleanup.	commit \| commitdiff \| tree
2013-07-01	Mark Abraham	Corrected definition of EEL_USER	commit \| commitdiff \| tree
2013-07-01	Sander Pronk	Comprehensive hwinfo structure concurrency fix.	commit \| commitdiff \| tree
2013-06-30	Teemu Murtola	Script for running uncrustify for modified files.	commit \| commitdiff \| tree
2013-06-28	Justin Lemkul	Minor tweaks to qm_orca.c	commit \| commitdiff \| tree
2013-06-28	Justin Lemkul	Fixes to config.h.cmakein to set GMX_QMMM_ORCA.	commit \| commitdiff \| tree
2013-06-27	Teemu Murtola	More flexible position input for nbsearch routines.	commit \| commitdiff \| tree
2013-06-27	Teemu Murtola	C++-ify analysis nbsearch more.	commit \| commitdiff \| tree
2013-06-27	Teemu Murtola	Remove C API for analysis neighborhoor search.	commit \| commitdiff \| tree
2013-06-27	Teemu Murtola	Better concurrency support for analysis nbsearch.	commit \| commitdiff \| tree
2013-06-27	Teemu Murtola	Fix analysis neighborhood search for 2D/screw PBC.	commit \| commitdiff \| tree
2013-06-27	Szilard Pall	Adapted clang-AMD-FMA workaround for both C and C++	commit \| commitdiff \| tree
2013-06-26	Roland Schulz	Remove hack to support old version tpr version 80	commit \| commitdiff \| tree
2013-06-25	Mark Abraham	Fixed #include of header for atomics on K-computer	commit \| commitdiff \| tree
2013-06-25	Jeff Hammond	Fix declaration that XLC rejected	commit \| commitdiff \| tree
2013-06-25	Szilard Pall	added CUDA compiler flags to version header	commit \| commitdiff \| tree
2013-06-24	Teemu Murtola	Clean up copyrite.*.	commit \| commitdiff \| tree
2013-06-24	Teemu Murtola	Move FFT routines to src/gromacs/fft/.	commit \| commitdiff \| tree
2013-06-24	Teemu Murtola	Restructure AnalysisData unit tests.	commit \| commitdiff \| tree
2013-06-24	Teemu Murtola	More flexible input data for analysisdata tests.	commit \| commitdiff \| tree
2013-06-20	Berk Hess	fixed SD and BD integrator OpenMP performance	commit \| commitdiff \| tree
2013-06-20	Michael Shirts	Fixing a problem when dhdl and replex are not multiples	commit \| commitdiff \| tree
2013-06-20	Berk Hess	flops table now reports CUDA analytical Ewald	commit \| commitdiff \| tree
2013-06-17	Teemu Murtola	Add unit tests for selection index mapping.	commit \| commitdiff \| tree
2013-06-17	Teemu Murtola	Uniform initialization for analysisdata tests.	commit \| commitdiff \| tree
2013-06-17	Teemu Murtola	Separate topology handling in selection tests.	commit \| commitdiff \| tree
2013-06-14	Teemu Murtola	Improve reference data checks against same data.	commit \| commitdiff \| tree
2013-06-14	David van der Spoel	New analysis tool to compute the free volume and total...	commit \| commitdiff \| tree
2013-06-14	Berk Hess	fixed minor g_bar output issues	commit \| commitdiff \| tree
2013-06-13	Teemu Murtola	Added ability to use cppcheck from the command line.	commit \| commitdiff \| tree
2013-06-13	Mark Abraham	Remove unused variables	commit \| commitdiff \| tree
2013-06-12	Teemu Murtola	Better averaging for analysis data modules.	commit \| commitdiff \| tree
2013-06-11	Teemu Murtola	Move wman.* to src/gromacs/onlinehelp/.	commit \| commitdiff \| tree
2013-06-07	Peter Kasson	Fixes syntax for FAHCORE in CMakeLists.txt.	commit \| commitdiff \| tree
2013-06-07	Pedro Lacerda	Add a GMX_NO_CREDITS variable to not show credits	commit \| commitdiff \| tree
2013-06-06	Pedro Lacerda	Various fixes for genion	commit \| commitdiff \| tree
2013-06-05	Berk Hess	fixed DD internal state corruption with energy minimization	commit \| commitdiff \| tree
2013-06-04	Sander Pronk	Fixed inconsistent locality_order array for thread...	commit \| commitdiff \| tree
2013-06-04	Sander Pronk	Fixed deadlock on Mac OS X during thread affinity check.	commit \| commitdiff \| tree
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