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

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

2012-09-03	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	commit \| commitdiff \| tree \| snapshot
2012-09-02	Roland Schulz	Fix stack error in grompp	commit \| commitdiff \| tree \| snapshot
2012-08-29	Berk Hess	bug fix for pme.c MPI_COMM_NULL fix dcf8b67e	commit \| commitdiff \| tree \| snapshot
2012-08-23	Sander Pronk	Newer version of thread_mpi, with various fixes, includ...	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 "Fixing of things associated with aminoacid.rtp...	commit \| commitdiff \| tree \| snapshot
2012-08-20	Christoph Junghans	Merge "Clean up some variable naming for eigensolving...	commit \| commitdiff \| tree \| snapshot
2012-08-20	Christoph Junghans	Merge "Fix coordinate is zero check in gmxcheck" into...	commit \| commitdiff \| tree \| snapshot
2012-08-20	Christoph Junghans	Merge "Explicitly noted an issue with use of genbox...	commit \| commitdiff \| tree \| snapshot
2012-08-18	Roland Schulz	Merge "fix AdResS and long-range electrostatics warning...	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
2012-08-14	Mark Abraham	Explicitly noted an issue with use of genbox -maxsol	commit \| commitdiff \| tree \| snapshot
2012-08-14	Mark Abraham	Don't silently accept genbox -nmol without -ci	commit \| commitdiff \| tree \| snapshot
2012-08-13	Christoph Junghans	fix AdResS and long-range electrostatics warning	commit \| commitdiff \| tree \| snapshot
2012-08-11	Mark Abraham	Clean up some variable naming for eigensolving	commit \| commitdiff \| tree \| snapshot
2012-08-11	Roland Schulz	Make GCC OpenMP libraries static if GMX_PREFER_STATIC_O...	commit \| commitdiff \| tree \| snapshot
2012-08-11	Roland Schulz	Guarantee OpenMP flags for linker and make them user...	commit \| commitdiff \| tree \| snapshot
2012-08-11	Mark Abraham	Fixing of things associated with aminoacid.rtp header	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
2012-08-05	Roland Schulz	Remove share/tutor	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
2012-08-02	Christoph Junghans	Add note about SD integrator and t-coupling	commit \| commitdiff \| tree \| snapshot
2012-08-01	Roland Schulz	Fix use after free memory error with adress	commit \| commitdiff \| tree \| snapshot
2012-07-31	Michael Shirts	Added a check for efep that was missing.	commit \| commitdiff \| tree \| snapshot
2012-07-31	Christoph Junghans	Merge "Clarified reasons for termination of EM" into...	commit \| commitdiff \| tree \| snapshot
2012-07-30	Mark Abraham	Clarified reasons for termination of EM	commit \| commitdiff \| tree \| snapshot
2012-07-29	Michael Shirts	Fix in when to call the constraints for andersen.	commit \| commitdiff \| tree \| snapshot
2012-07-29	Roland Schulz	Fix Segfaults in Genion	commit \| commitdiff \| tree \| snapshot
2012-07-26	Roland Schulz	Fix that VMD version check was performed for binary...	commit \| commitdiff \| tree \| snapshot
2012-07-25	Roland Schulz	Merge "cmake: allow switch between single and double...	commit \| commitdiff \| tree \| snapshot
2012-07-25	Roland Schulz	Merge "fix a segfault in sse_mask_init" into release-4-6	commit \| commitdiff \| tree \| snapshot
2012-07-24	Roland Schulz	Fix installation rules for man pages: don't install...	commit \| commitdiff \| tree \| snapshot
2012-07-24	Roland Schulz	Add default root folder to cpack archives	commit \| commitdiff \| tree \| snapshot
2012-07-24	Mark Abraham	Clean up of environment variables	commit \| commitdiff \| tree \| snapshot
2012-07-19	Christoph Junghans	cmake: allow switch between single and double	commit \| commitdiff \| tree \| snapshot
2012-07-18	Berk Hess	fixed DD charge group displacement error check	commit \| commitdiff \| tree \| snapshot
2012-07-17	Berk Hess	fix a segfault in sse_mask_init	commit \| commitdiff \| tree \| snapshot
2012-07-16	Christoph Junghans	Merge "Removed commas from gmx_hbond OpenMP constructs...	commit \| commitdiff \| tree \| snapshot
2012-07-16	Christoph Junghans	Merge "Enforced rotation: PBC/restart fix" into release-4-6	commit \| commitdiff \| tree \| snapshot
2012-07-15	Roland Schulz	Take first description if programs.txt has more than...	commit \| commitdiff \| tree \| snapshot
2012-07-15	David van der...	Merge "Autogenerate gromacs.7 from programs.txt" into...	commit \| commitdiff \| tree \| snapshot
2012-07-15	Roland Schulz	Adding missing entries in programs.txt	commit \| commitdiff \| tree \| snapshot
2012-07-15	Teemu Murtola	Removed commas from gmx_hbond OpenMP constructs.	commit \| commitdiff \| tree \| snapshot
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	commit \| commitdiff \| tree \| snapshot
2012-07-10	Roland Schulz	Adding missing entries in programs.txt	commit \| commitdiff \| tree \| snapshot
2012-07-10	Roland Schulz	Use relative rpath to support relocatable binary packages	commit \| commitdiff \| tree \| snapshot
2012-07-10	Roland Schulz	Allow usage of relative install paths	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
2012-07-07	Roland Schulz	Autogenerate gromacs.7 from programs.txt	commit \| commitdiff \| tree \| snapshot
2012-07-06	Carsten Kutzner	Enforced rotation: PBC/restart fix	commit \| commitdiff \| tree \| snapshot
2012-07-06	Erik Marklund	Bugfix for the segfault that occurs with g_hbond -hbm...	commit \| commitdiff \| tree \| snapshot
2012-07-06	Roland Schulz	Don't prevent GMX_PREFER_STATIC_LIBS with BUILD_SHARED_LIBS	commit \| commitdiff \| tree \| snapshot
2012-07-05	Roland Schulz	Build man-pages instead of distributing them in the...	commit \| commitdiff \| tree \| snapshot
2012-07-05	Christoph Junghans	Merge "Don't rerun checks and be quiet 2nd time cmake...	commit \| commitdiff \| tree \| snapshot
2012-07-05	Christoph Junghans	Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6	commit \| commitdiff \| tree \| snapshot
2012-07-05	Christoph Junghans	Merge "Finalized and extended Szilard's openMP cleanup...	commit \| commitdiff \| tree \| snapshot
2012-07-05	Roland Schulz	Don't rerun checks and be quiet 2nd time cmake is run	commit \| commitdiff \| tree \| snapshot
2012-07-04	Erik Marklund	Finalized and extended Szilard's openMP cleanup of...	commit \| commitdiff \| tree \| snapshot
2012-07-04	Roland Schulz	Merge "Add FindGROMACS.cmake to template's CMakeLists...	commit \| commitdiff \| tree \| snapshot
2012-07-04	Roland Schulz	Merge "Fixed bug in free energy calculation for Morse...	commit \| commitdiff \| tree \| snapshot
2012-07-04	Berk Hess	set default for rcoulomb, rvdw and rlist to -1	commit \| commitdiff \| tree \| snapshot
2012-07-03	Elton Carvalho	Fixed L-BFGS trajectory output.	commit \| commitdiff \| tree \| snapshot
2012-07-03	Szilárd Páll	Merge "Minor formatting and consistency changes to...	commit \| commitdiff \| tree \| snapshot
2012-07-02	Christoph Junghans	Do not print disabled pressures and virials	commit \| commitdiff \| tree \| snapshot
2012-06-30	David van der...	Fixed bug in free energy calculation for Morse potentials	commit \| commitdiff \| tree \| snapshot
2012-06-29	Christoph Junghans	Add FindGROMACS.cmake to template's CMakeLists.txt	commit \| commitdiff \| tree \| snapshot
2012-06-29	Michael Shirts	Minor formatting and consistency changes to txtdump.c	commit \| commitdiff \| tree \| snapshot
2012-06-29	Michael Shirts	Corrected checkpoint version issues with free energy...	commit \| commitdiff \| tree \| snapshot
2012-06-29	Sebastian Fritsch	Merge "Fixed adress kernel for double precision" into...	commit \| commitdiff \| tree \| snapshot
2012-06-28	Christoph Junghans	Fixed adress kernel for double precision	commit \| commitdiff \| tree \| snapshot
2012-06-28	Roland Schulz	Allow also FindMPI for cmake<2.8.5	commit \| commitdiff \| tree \| snapshot
2012-06-28	Christoph Junghans	Merge "Fix MPI build for MPI library without mpi wrappe...	commit \| commitdiff \| tree \| snapshot
2012-06-28	Roland Schulz	Fix MPI build for MPI library without mpi wrapper	commit \| commitdiff \| tree \| snapshot
2012-06-27	Szilard Pall	fixes typo gmx_omp introduced by 697bcdc	commit \| commitdiff \| tree \| snapshot
2012-06-26	Roland Schulz	Fix that rerunning cmake gives the same result as 1st run	commit \| commitdiff \| tree \| snapshot
2012-06-26	Roland Schulz	Merge "Fix gmx_fatal for serial compilation" into relea...	commit \| commitdiff \| tree \| snapshot
2012-06-25	Szilard Pall	introduce gmx_omp wrapper for the OpenMP API	commit \| commitdiff \| tree \| snapshot
2012-06-25	Berk Hess	fixed segv/hang with EM and foreign lambda values	commit \| commitdiff \| tree \| snapshot
2012-06-25	Berk Hess	added check for log fp!=NULL when disabling acceleration	commit \| commitdiff \| tree \| snapshot
2012-06-24	Christoph Junghans	Merge "Remove MPI define for FAH" into release-4-6	commit \| commitdiff \| tree \| snapshot
2012-06-24	Michael Shirts	Merge "Fix mdp_opt formatting of expanded ensemble...	commit \| commitdiff \| tree \| snapshot
2012-06-24	Roland Schulz	Fix mdp_opt formatting of expanded ensemble	commit \| commitdiff \| tree \| snapshot
2012-06-24	Roland Schulz	Remove MPI define for FAH	commit \| commitdiff \| tree \| snapshot
2012-06-23	Roland Schulz	Fix illegal usage of MPI_Comm_create	commit \| commitdiff \| tree \| snapshot
2012-06-22	Christoph Junghans	Merge "Simple patch for openmm_wrapper.cpp" into releas...	commit \| commitdiff \| tree \| snapshot
2012-06-21	Erik Lindahl	Fixed gcc inline assembly issue with PIC and older...	commit \| commitdiff \| tree \| snapshot
2012-06-21	David van der...	Fixes #961 - Shake reports wrong error	commit \| commitdiff \| tree \| snapshot
2012-06-20	Roland Schulz	Fix gmx_fatal for serial compilation	commit \| commitdiff \| tree \| snapshot
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