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cmdlinerunner.cpp: use ICommandLineOptionsModule
2010-01-11
Carsten Kutzner
Enforced rotation: Fixed axis now can follow the COM...
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2009-12-21
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-21
Carsten Kutzner
Essential dynamics: fixed segfault when using sd2 integrator
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2009-12-21
Carsten Kutzner
Essential dynamics: fixed segfault when using sd2 integrator
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2009-12-09
Carsten Kutzner
Enforced rotation: Make g_tune_pme aware of rotation...
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2009-11-30
Carsten Kutzner
Merge branch 'master' into rotation
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2009-11-30
Carsten Kutzner
Enforced rotation: changed mdrun switch -r to -ro to...
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2009-11-30
Carsten Kutzner
g_tune_pme now does proper cleanup also with pull simulations
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2009-11-24
Carsten Kutzner
Enforced rotation: fixed calculation of relevant slabs
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2009-11-24
Carsten Kutzner
Merge branch 'master' into rotation
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2009-11-20
Carsten Kutzner
Merge branch 'master' into rotation
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2009-11-20
Carsten Kutzner
Enforced rotation: details
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2009-10-23
Carsten Kutzner
Merge branch 'master' into rotation
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2009-10-21
Carsten Kutzner
g_tune_pme now also accepts < 3 nodes, also outputs...
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2009-10-14
Carsten Kutzner
Merge branch 'master' into rotation
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2009-10-14
Carsten Kutzner
Enforced rotation: moved all helper variables of inputrec...
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2009-10-12
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-10-12
Carsten Kutzner
cycle counters can now be reset by a (hidden) mdrun...
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2009-09-22
Carsten Kutzner
Enforced rotation: smarter way to determine relevant...
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2009-09-21
Carsten Kutzner
Merge branch 'master' into rotation
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2009-09-21
Carsten Kutzner
Enforced rotation: Another minor optimization in do_flex...
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2009-09-18
Carsten Kutzner
Enforced rotation: Minor performance optimization in...
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2009-09-16
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-16
Carsten Kutzner
Fixed format conversions in gmx_tune_pme.c
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2009-09-15
Carsten Kutzner
Merge branch 'master' into rotation
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2009-09-15
Carsten Kutzner
Enforced rotation: new type 'followplane', plus fixed...
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2009-09-07
Carsten Kutzner
Edsam: Added the possibility to flood towards a certain...
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2009-09-03
Carsten Kutzner
Enforced rotation: made fit type controllable by mdp...
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2009-09-03
Carsten Kutzner
Merge branch 'master' into rotation
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2009-09-03
Carsten Kutzner
Enforced rotation: rotation output file names can now...
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2009-09-02
Carsten Kutzner
Enforced rotation: added type 'fixedplane'
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2009-08-28
Carsten Kutzner
Enforced rotation: simplified calculations in do_flex_lowlevel
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2009-08-24
Carsten Kutzner
Merged in changes from master branch
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2009-08-24
Carsten Kutzner
Renamed rotation.{c,h} to pull_rotation
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2009-08-20
Carsten Kutzner
Clearer output when multiple groups are rotated
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2009-08-20
Carsten Kutzner
Fixed calculation of nslabs in reduce_output when multiple...
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2009-08-20
Carsten Kutzner
Removed // style comments
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2009-08-20
Carsten Kutzner
Initial commit of enforced rotation add-on
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2009-08-20
Carsten Kutzner
Started new branch 'rotation' for enforced rotation...
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2009-08-11
Carsten Kutzner
Fixed uninitialized variable in gmx_tune_pme.c
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2009-07-30
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-29
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-28
Carsten Kutzner
set init_step on pme only nodes when counter resetting...
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2009-07-27
Carsten Kutzner
Counter resetting also on the PME only nodes
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2009-07-16
Carsten Kutzner
Check md.log to ensure GMX_RESET_COUNTERS was passed...
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2009-07-15
Carsten Kutzner
Check whether mpirun accepts -x option
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2009-07-15
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-15
Carsten Kutzner
Several improvements to gmx_tune_pme
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2009-07-07
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-07-07
Carsten Kutzner
Removed unused m_rvec* functions in vec.h (unneeded...
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2009-07-07
Carsten Kutzner
Made the optional GMX_BARRIERS work with separate PME...
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2009-07-06
Carsten Kutzner
Output the correct number of files in read_tpr_pullxf_files
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2009-06-23
Carsten Kutzner
Fixed check_oo memory corruption problem
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2009-06-22
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-06-19
Carsten Kutzner
Removed all static variables in edsam.c
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