BioD PNPI Git Repos - alexxy/gromacs.git/history - share/html/online/mdp

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

[alexxy/gromacs.git] / share / html / online / mdp_opt.html

2013-07-07	Mark Abraham	Fixed minor admin issues	blob \| commitdiff \| raw
2013-05-21	Mark Abraham	Updated grompp cut-off and PME-Switch checks	blob \| commitdiff \| raw \| diff to current
2013-04-19	Teemu Murtola	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw \| diff to current
2013-03-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-02-20	Mark Abraham	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-02-08	Mark Abraham	Merge "cmake: fixed typo in template CMakeLists.txt...	blob \| commitdiff \| raw \| diff to current
2013-01-25	Christoph Junghans	Merge "Moved a few comments back into position" into...	blob \| commitdiff \| raw \| diff to current
2013-01-22	Mark Abraham	Merge "Re-licenced FindGROMACS.cmake (was written by...	blob \| commitdiff \| raw \| diff to current
2013-01-22	Mark Abraham	Merge "Updated html manual to 4.6" into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-22	Mark Abraham	Merge "added missing cleanup of some nbnxn_cuda data...	blob \| commitdiff \| raw \| diff to current
2013-01-22	Roland Schulz	Updated html manual to 4.6	blob \| commitdiff \| raw \| diff to current
2013-01-18	Michael Shirts	Addendum for expanded ensemble options plus formatting...	blob \| commitdiff \| raw \| diff to current
2013-01-18	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge "Remove unnecessary ICC flags affecting performan...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge "improved CUDA kernel performance by pre-loading...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Christoph Junghans	Merge "Added note about make_edi and flooding in ED...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Christoph Junghans	Merge "use the compiler version provided by CMake ...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-17	Christoph Junghans	Merge "note the reason for auto-disabling GPU support...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge "Added mdp option 'calc-lambda-neighbors'." into...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Roland Schulz	Merge "clarify wording of GPU driver-related notes...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Sander Pronk	Added mdp option 'calc-lambda-neighbors'.	blob \| commitdiff \| raw \| diff to current
2013-01-17	Sander Pronk	Fixes to free energy code, output & g_bar compatibility.	blob \| commitdiff \| raw \| diff to current
2013-01-15	Mark Abraham	Merge "Hid nbnxn kernel names behind a lookup function...	blob \| commitdiff \| raw \| diff to current
2013-01-15	Christoph Junghans	Merge "disable OpenMP with all OS X gcc 4.2-based compi...	blob \| commitdiff \| raw \| diff to current
2013-01-15	Sander Pronk	Merge "Continuation of documentation for expanded ensem...	blob \| commitdiff \| raw \| diff to current
2013-01-15	Michael Shirts	Continuation of documentation for expanded ensemble.	blob \| commitdiff \| raw \| diff to current
2013-01-11	Christoph Junghans	Merge "Fix CUDA being quiet and mark all CUDA_* as...	blob \| commitdiff \| raw \| diff to current
2013-01-11	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-11	Roland Schulz	Merge "Handle compiler flags more flexibly" into releas...	blob \| commitdiff \| raw \| diff to current
2013-01-11	Christoph Junghans	Merge "Remove incorrect assert added by 05f9a740" into...	blob \| commitdiff \| raw \| diff to current
2013-01-10	Mark Abraham	Merge "Revert default rlist/rvdw/rcoulomb to valid...	blob \| commitdiff \| raw \| diff to current
2013-01-10	Erik Lindahl	Revert default rlist/rvdw/rcoulomb to valid values...	blob \| commitdiff \| raw \| diff to current
2012-11-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-20	Christoph Junghans	Merge "Fix g_msd -mol" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-20	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-17	Roland Schulz	Merge "Removing Zn and Ar non-OPLS atom types" into...	blob \| commitdiff \| raw \| diff to current
2012-11-10	Roland Schulz	Merge "Fix broken manual formatting" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-10	Mark Abraham	Fix broken manual formatting	blob \| commitdiff \| raw \| diff to current
2012-11-08	Christoph Junghans	Merge "auto-set nvcc host compiler with FindMPI detecti...	blob \| commitdiff \| raw \| diff to current
2012-11-08	Erik Lindahl	Infrastructure for new group kernels, and new C kernels	blob \| commitdiff \| raw \| diff to current
2012-11-06	Roland Schulz	Merge "Clarification of mdp_opt, add nstexpand defaults...	blob \| commitdiff \| raw \| diff to current
2012-11-06	Michael Shirts	Clarification of mdp_opt, add nstexpand defaults &...	blob \| commitdiff \| raw \| diff to current
2012-11-03	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-10-26	Christoph Junghans	Merge "enable GMX_PREFER_STATIC_LIBS CMake option on...	blob \| commitdiff \| raw \| diff to current
2012-10-26	Christoph Junghans	Merge "fix false positive gcc 4.7 warning in libxdrf...	blob \| commitdiff \| raw \| diff to current
2012-10-26	Roland Schulz	Merge "set the default for nstdhdl to 100" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-10-26	Berk Hess	set the default for nstdhdl to 100	blob \| commitdiff \| raw \| diff to current
2012-10-17	Kasson	Merge "Make Gromacs compile without C++ compiler" into...	blob \| commitdiff \| raw \| diff to current
2012-10-08	Berk Hess	made non-bonded potential shifts mdp options	blob \| commitdiff \| raw \| diff to current
2012-10-02	Szilard Pall	added Verlet scheme and NxN non-bonded functionality	blob \| commitdiff \| raw \| diff to current
2012-10-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-09-03	Kasson	Merge "Document correct comm_mode option" into release...	blob \| commitdiff \| raw \| diff to current
2012-09-03	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-08-28	Mark Abraham	Document correct comm_mode option	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-07-05	Christoph Junghans	Merge "Don't rerun checks and be quiet 2nd time cmake...	blob \| commitdiff \| raw \| diff to current
2012-07-05	Christoph Junghans	Merge "Allow also FindMPI for cmake<2.8.5" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-05	Christoph Junghans	Merge "Finalized and extended Szilard's openMP cleanup...	blob \| commitdiff \| raw \| diff to current
2012-07-04	Roland Schulz	Merge "Add FindGROMACS.cmake to template's CMakeLists...	blob \| commitdiff \| raw \| diff to current
2012-07-04	Roland Schulz	Merge "Fixed bug in free energy calculation for Morse...	blob \| commitdiff \| raw \| diff to current
2012-07-04	Berk Hess	set default for rcoulomb, rvdw and rlist to -1	blob \| commitdiff \| raw \| diff to current
2012-06-26	Roland Schulz	Merge "Fix gmx_fatal for serial compilation" into relea...	blob \| commitdiff \| raw \| diff to current
2012-06-24	Christoph Junghans	Merge "Remove MPI define for FAH" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-06-24	Michael Shirts	Merge "Fix mdp_opt formatting of expanded ensemble...	blob \| commitdiff \| raw \| diff to current
2012-06-24	Roland Schulz	Fix mdp_opt formatting of expanded ensemble	blob \| commitdiff \| raw \| diff to current
2012-06-04	Michael Shirts	Merging in free energy, exp. ensemble, & andersen t...	blob \| commitdiff \| raw \| diff to current
2012-06-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-05-07	Teemu Murtola	Merge branch 'gerrit/release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-29	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-26	Berk Hess	Merge "Merge release-4-5-patches into release-4-6"...	blob \| commitdiff \| raw \| diff to current
2012-04-26	Berk Hess	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-04-26	Szilard Pall	Corrected fourierspacing description	blob \| commitdiff \| raw \| diff to current
2012-04-25	Berk Hess	replaced PPPM by P3M-AD: a few lines in pme.c	blob \| commitdiff \| raw \| diff to current
2012-04-22	Roland Schulz	Merge "enable command line option cheking in mdrun...	blob \| commitdiff \| raw \| diff to current
2012-04-16	Roland Schulz	Merge "changed default for nstxout, nstvout and nstlog...	blob \| commitdiff \| raw \| diff to current
2012-04-16	Berk Hess	changed default for nstxout, nstvout and nstlog	blob \| commitdiff \| raw \| diff to current
2012-04-09	Christoph Junghans	Merge "Documentation and error message enhancements...	blob \| commitdiff \| raw \| diff to current
2012-04-09	Mark Abraham	Lots of manual updates	blob \| commitdiff \| raw \| diff to current
2012-04-09	Christoph Junghans	Merge "Consolidated documentation of .mdp restraint...	blob \| commitdiff \| raw \| diff to current
2012-04-09	Mark Abraham	Consolidated documentation of .mdp restraint options	blob \| commitdiff \| raw \| diff to current
2012-04-03	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-03-28	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-03-18	David van der Spoel	Merge "Fix typo in Clang CFlags" into release-4-5-patches	blob \| commitdiff \| raw \| diff to current
2012-03-18	David van der Spoel	Merge "Merge release-4-5-patches into release-4-6"...	blob \| commitdiff \| raw \| diff to current
2012-03-16	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-03-15	Christoph Junghans	Merge "Clarified wording of documentation" into release...	blob \| commitdiff \| raw \| diff to current
2012-03-15	Mark Abraham	Clarified wording of documentation	blob \| commitdiff \| raw \| diff to current
2012-03-13	Christoph Junghans	Merge "Vibration spectra from velocity ACF or Normal...	blob \| commitdiff \| raw \| diff to current
2012-03-09	Roland Schulz	Merge "Improve FindFFTW" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-02-29	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-02-25	David van der Spoel	Merge "Minor formatting fixes to .mdp option documentat...	blob \| commitdiff \| raw \| diff to current
2012-02-24	Mark Abraham	Minor formatting fixes to .mdp option documentation	blob \| commitdiff \| raw \| diff to current
2012-02-23	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-02-21	Christoph Junghans	Merge "changed default epsilon-rf value to 0" into...	blob \| commitdiff \| raw \| diff to current
2012-02-20	Berk Hess	changed default epsilon-rf value to 0	blob \| commitdiff \| raw \| diff to current
2012-02-08	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
2012-02-08	Christoph Junghans	Merge "fixed confusing nonbonded kernel pointer initial...	blob \| commitdiff \| raw \| diff to current
2012-02-03	Roland Schulz	Merge remote-tracking branch 'gerrit/release-4-5-patche...	blob \| commitdiff \| raw \| diff to current
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