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

biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog

2012-09-07	David van der...	Adapted NMR related data to new pdb format.	commit \| commitdiff \| tree \| snapshot
2012-09-06	Roland Schulz	Merge "Fixed .g96 trajectory reading." into release...	commit \| commitdiff \| tree \| snapshot
2012-09-04	David van der...	Made tutorial slightly less confusing.	commit \| commitdiff \| tree \| snapshot
2012-09-03	Sander Pronk	Fixed .g96 trajectory reading.	commit \| commitdiff \| tree \| snapshot
2012-09-03	Kasson	Merge "Document correct comm_mode option" into release...	commit \| commitdiff \| tree \| snapshot
2012-09-03	Kasson	Merge "Improved pdb2gmx output" into release-4-5-patches	commit \| commitdiff \| tree \| snapshot
2012-09-02	Roland Schulz	Fix stack error in grompp	commit \| commitdiff \| tree \| snapshot
2012-08-31	Mark Abraham	Improved pdb2gmx output	commit \| commitdiff \| tree \| snapshot
2012-08-29	Berk Hess	bug fix for pme.c MPI_COMM_NULL fix dcf8b67e	commit \| commitdiff \| tree \| snapshot
2012-08-28	Mark Abraham	Document correct comm_mode option	commit \| commitdiff \| tree \| snapshot
2012-08-22	Bogdan Iorga	Added PGLU entry in aminoacids.n.tdb for OPLS-AA.	commit \| commitdiff \| tree \| snapshot
2012-08-20	Christoph Junghans	Merge "Fix coordinate is zero check in gmxcheck" into...	commit \| commitdiff \| tree \| snapshot
2012-08-16	Roland Schulz	Fix coordinate is zero check in gmxcheck	commit \| commitdiff \| tree \| snapshot
2012-08-16	David van der...	Optional computation of fluct. props in g_energy. Fixes...	commit \| commitdiff \| tree \| snapshot
2012-08-10	Mark Abraham	Added TIP4P back into CHARMM27	commit \| commitdiff \| tree \| snapshot
2012-08-09	Berk Hess	fixed trjconv not writing velocities with cpt input	commit \| commitdiff \| tree \| snapshot
2012-08-07	Christoph Junghans	Merge "fixed incorrect TPI results with dynamic box...	commit \| commitdiff \| tree \| snapshot
2012-08-07	Carsten Kutzner	Fixed essential dynamics / flooding group PBC serial	commit \| commitdiff \| tree \| snapshot
2012-08-06	Berk Hess	fixed incorrect TPI results with dynamic box	commit \| commitdiff \| tree \| snapshot
2012-08-06	Christoph Junghans	Merge "Added comment in get_structure about which struc...	commit \| commitdiff \| tree \| snapshot
2012-08-06	Carsten Kutzner	Fixed calculation of projection for STAR and/or SORI	commit \| commitdiff \| tree \| snapshot
2012-08-06	Carsten Kutzner	Added comment in get_structure about which structures...	commit \| commitdiff \| tree \| snapshot
2012-08-04	Roland Schulz	Merge "Fixed segv in essential dynamics module" into...	commit \| commitdiff \| tree \| snapshot
2012-08-03	Carsten Kutzner	Fixed segv in essential dynamics module	commit \| commitdiff \| tree \| snapshot
2012-08-03	Roland Schulz	Fix overlapping memcpy	commit \| commitdiff \| tree \| snapshot
2012-07-18	Berk Hess	fixed DD charge group displacement error check	commit \| commitdiff \| tree \| snapshot
2012-07-10	Roland Schulz	Adding missing entries in programs.txt	commit \| commitdiff \| tree \| snapshot
2012-07-09	Christoph Junghans	Merge "Fixed bug in sfactor.c that makes g_rdf -sq...	commit \| commitdiff \| tree \| snapshot
2012-07-09	Jochen Hub	Fixed bug in sfactor.c that makes g_rdf -sq give wrong...	commit \| commitdiff \| tree \| snapshot
2012-07-09	Teemu Murtola	Fix memory error with complex boolean selections.	commit \| commitdiff \| tree \| snapshot
2012-07-06	Erik Marklund	Bugfix for the segfault that occurs with g_hbond -hbm...	commit \| commitdiff \| tree \| snapshot
2012-07-03	Elton Carvalho	Fixed L-BFGS trajectory output.	commit \| commitdiff \| tree \| snapshot
2012-06-25	Berk Hess	fixed segv/hang with EM and foreign lambda values	commit \| commitdiff \| tree \| snapshot
2012-06-21	David van der...	Fixes #961 - Shake reports wrong error	commit \| commitdiff \| tree \| snapshot
2012-06-20	Erik Marklund	Correct normalization for HB-contact c-correlation.	commit \| commitdiff \| tree \| snapshot
2012-06-19	Mark Abraham	Merge "Fixes #882 - looping bug in trxio.c" into relea...	commit \| commitdiff \| tree \| snapshot
2012-06-19	Christoph Junghans	Merge "Quiet linker on BlueGene" into release-4-5-patches	commit \| commitdiff \| tree \| snapshot
2012-06-18	Christoph Junghans	Merge "Fix g_lie counting last frame twice" into releas...	commit \| commitdiff \| tree \| snapshot
2012-06-16	David van der...	Fixes #882 - looping bug in trxio.c	commit \| commitdiff \| tree \| snapshot
2012-06-15	Mark Abraham	Quiet linker on BlueGene	commit \| commitdiff \| tree \| snapshot
2012-06-15	Erik Marklund	Makes g_hbond -contact work	commit \| commitdiff \| tree \| snapshot
2012-06-15	Mark Abraham	Fix g_lie counting last frame twice	commit \| commitdiff \| tree \| snapshot
2012-06-15	Christoph Junghans	Merge "Work around failure of endianness testing on...	commit \| commitdiff \| tree \| snapshot
2012-06-14	Roland Schulz	Merge "Made mdrun more verbose about PME split" into...	commit \| commitdiff \| tree \| snapshot
2012-06-11	Carsten Kutzner	Small fix for g_tune_pme	commit \| commitdiff \| tree \| snapshot
2012-06-08	Christoph Junghans	Merge "Added more suggested strategies to error message...	commit \| commitdiff \| tree \| snapshot
2012-06-06	Mark Abraham	Work around failure of endianness testing on BlueGene	commit \| commitdiff \| tree \| snapshot
2012-06-06	Mark Abraham	Fix endian test functionality	commit \| commitdiff \| tree \| snapshot
2012-06-04	Mark Abraham	Added more suggested strategies to error message	commit \| commitdiff \| tree \| snapshot
2012-06-01	Christoph Junghans	Merge "Replace our fftpack version with Numpy's version...	commit \| commitdiff \| tree \| snapshot
2012-06-01	Roland Schulz	Replace our fftpack version with Numpy's version	commit \| commitdiff \| tree \| snapshot
2012-05-31	Mark Abraham	Made mdrun more verbose about PME split	commit \| commitdiff \| tree \| snapshot
2012-05-30	Teemu Murtola	Fix use after free in g_anaeig projection code.	commit \| commitdiff \| tree \| snapshot
2012-05-29	Sander Pronk	Removed dependency on windows.h through commrec.h,...	commit \| commitdiff \| tree \| snapshot
2012-05-28	Christoph Junghans	Merge "Continuing to fix threading on Cygwin" into...	commit \| commitdiff \| tree \| snapshot
2012-05-27	Roland Schulz	Fix editconf real-bool misusage	commit \| commitdiff \| tree \| snapshot
2012-05-27	Roland Schulz	Fix Clang 3.1 warning	commit \| commitdiff \| tree \| snapshot
2012-05-26	Mark Abraham	Continuing to fix threading on Cygwin	commit \| commitdiff \| tree \| snapshot
2012-05-21	Berk Hess	re-introduced fix for real/double issue in gmx_density	commit \| commitdiff \| tree \| snapshot
2012-05-08	Berk Hess	fixed mdrun -cpi SD and pcoupl initialization	commit \| commitdiff \| tree \| snapshot
2012-05-05	Teemu Murtola	Clean up cmake version generation.	commit \| commitdiff \| tree \| snapshot
2012-05-05	Teemu Murtola	Drop support for pre-1.5.3 git for version info.	commit \| commitdiff \| tree \| snapshot
2012-05-05	Teemu Murtola	Fix cmake version info generation.	commit \| commitdiff \| tree \| snapshot
2012-04-29	Roland Schulz	Don't enable ASM if no asm kernel is selected	commit \| commitdiff \| tree \| snapshot
2012-04-28	Mark Abraham	Merge "Remove checks based on Generator" into release...	commit \| commitdiff \| tree \| snapshot
2012-04-28	Mark Abraham	Merge "Fix version info generation for autoconf." into...	commit \| commitdiff \| tree \| snapshot
2012-04-27	Berk Hess	changed PME MPI_Comm comparisions to MPI_COMM_NULL...	commit \| commitdiff \| tree \| snapshot
2012-04-27	Teemu Murtola	Fix version info generation for autoconf.	commit \| commitdiff \| tree \| snapshot
2012-04-27	Roland Schulz	Remove checks based on Generator	commit \| commitdiff \| tree \| snapshot
2012-04-26	Berk Hess	fixed dispersion correction with parallel EM	commit \| commitdiff \| tree \| snapshot
2012-04-26	Szilard Pall	Corrected fourierspacing description	commit \| commitdiff \| tree \| snapshot
2012-04-26	Szilárd Páll	Merge "fixed initial COM motion removal with multiple...	commit \| commitdiff \| tree \| snapshot
2012-04-26	David van der...	Merge "Various improvements to shell code" into release...	commit \| commitdiff \| tree \| snapshot
2012-04-25	Berk Hess	fixed initial COM motion removal with multiple groups	commit \| commitdiff \| tree \| snapshot
2012-04-24	Berk Hess	Merge "allow -append to overrule unsupported file locki...	commit \| commitdiff \| tree \| snapshot
2012-04-19	Mark Abraham	Various improvements to shell code	commit \| commitdiff \| tree \| snapshot
2012-04-18	Berk Hess	fixed segfault in graph code with coordinate subsets	commit \| commitdiff \| tree \| snapshot
2012-04-18	Berk Hess	allow -append to overrule unsupported file locking	commit \| commitdiff \| tree \| snapshot
2012-04-18	Szilard Pall	added missing #ifdef around #include "thread_mpi.h"	commit \| commitdiff \| tree \| snapshot
2012-04-17	Berk Hess	changed mdrun file locking not supported error to a...	commit \| commitdiff \| tree \| snapshot
2012-04-16	Sander Pronk	Merge "Permit threads build on Cygwin" into release...	commit \| commitdiff \| tree \| snapshot
2012-04-14	Teemu Murtola	Merge "Clarified warning message" into release-4-5...	commit \| commitdiff \| tree \| snapshot
2012-04-14	Teemu Murtola	Merge "Clarified warning string" into release-4-5-patches	commit \| commitdiff \| tree \| snapshot
2012-04-14	Mark Abraham	Described default output behaviour	commit \| commitdiff \| tree \| snapshot
2012-04-14	Mark Abraham	Clarified warning message	commit \| commitdiff \| tree \| snapshot
2012-04-14	Mark Abraham	Clarified warning string	commit \| commitdiff \| tree \| snapshot
2012-04-12	Teemu Murtola	Read PDB information in read_tps_conf().	commit \| commitdiff \| tree \| snapshot
2012-04-11	Roland Schulz	Fix that directory is not mistaken for binary	commit \| commitdiff \| tree \| snapshot
2012-04-10	Mark Abraham	Made g_helix sensitive to CHARMM atom naming	commit \| commitdiff \| tree \| snapshot
2012-04-10	Mark Abraham	Permit threads build on Cygwin	commit \| commitdiff \| tree \| snapshot
2012-04-09	Christoph Junghans	Merge "Documentation and error message enhancements...	commit \| commitdiff \| tree \| snapshot
2012-04-09	Mark Abraham	Documentation and error message enhancements	commit \| commitdiff \| tree \| snapshot
2012-04-09	Mark Abraham	Lots of manual updates	commit \| commitdiff \| tree \| snapshot
2012-04-09	Christoph Junghans	Merge "Consolidated documentation of .mdp restraint...	commit \| commitdiff \| tree \| snapshot
2012-04-09	Mark Abraham	Consolidated documentation of .mdp restraint options	commit \| commitdiff \| tree \| snapshot
2012-04-06	Roland Schulz	Fix domain decomposition setup for >46k cores	commit \| commitdiff \| tree \| snapshot
2012-04-03	Roland Schulz	Merge "Fixes problems with g_msd and g_energy" into...	commit \| commitdiff \| tree \| snapshot
2012-04-02	Michael Shirts	Fixes problems with g_msd and g_energy	commit \| commitdiff \| tree \| snapshot
2012-04-02	David van der...	Merge "Improved pdb2gmx error message" into release...	commit \| commitdiff \| tree \| snapshot
2012-04-02	Mark Abraham	Improved pdb2gmx error message	commit \| commitdiff \| tree \| snapshot
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