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Merge remote branch 'origin/release-4-5-patches'
[alexxy/gromacs.git]
/
src
/
kernel
/
md.c
2010-09-10
Szilard Pall
Merge remote branch 'origin/release-4-5-patches'
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2010-09-10
Berk Hess
made sure the energy history from a checkpoint file...
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2010-09-07
Rossen Apostolov
Merge branch 'release-4-5-patches'
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2010-09-06
Szilard Pall
Merge branch 'release-4-5-patches'
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2010-09-02
Rossen Apostolov
Merge branch 'release-4-5-patches'
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2010-08-30
David van der Spoel
Merge branch 'release-4-5-patches'
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2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches'
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2010-08-27
Erik Lindahl
Resolved merge conflict in gmx_membed.c
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2010-08-27
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-08-27
Maarten Wolf
Moved membed functionality to mdrun
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2010-08-26
Christoph Junghans
Merge branch 'master' into HEAD
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2010-08-26
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-26
Rossen Apostolov
Removed the unnecessary hacks from some boolean statements.
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2010-08-25
Rossen Apostolov
Merge branch 'release-4-5-patches'
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-22
David van der Spoel
Merge branch 'release-4-5-patches'
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2010-08-21
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-20
Sander Pronk
Added support for new mdp options controlling free...
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2010-08-19
Michael Shirts
Additional fixes to the nsttcouple and nstpcouple worki...
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2010-08-19
Michael Shirts
Proposed fix for v-rescale and berendsen for velocity...
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2010-08-19
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-18
Christoph Junghans
Merge remote branch 'origin/release-4-5-patches'
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2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-18
Michael Shirts
Changed the way energy conservation bookeeping is done.
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2010-08-18
Berk Hess
removed the bNEMD boolean from the main MD loop and...
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-13
Michael Shirts
Trying to get vscale working with vv.
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2010-08-10
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-08-09
Michael Shirts
First pass at getting VV / v-rescale formula correct.
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2010-08-07
Michael Shirts
Eliminated some commented out code.
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2010-08-06
Berk Hess
Merge branch 'release-4-5-patches'
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2010-08-06
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-04
Berk Hess
removed commrec->nthreads from FAHCORE code
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2010-08-04
David van der Spoel
Merge branch 'release-4-5-patches'
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2010-08-03
Berk Hess
made vrescale and Berendsen tcouple work with VV, altho...
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2010-08-01
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-01
Berk
added nstpcouple-nlist change with twin-range in grompp...
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Berk
minor update for nst change
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2010-07-30
Berk
added mdp parameters nsttcouple and nstpcouple
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Berk
commented out nthreads and threadid in t_commrec to...
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2010-07-13
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-12
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-11
Michael Shirts
Fixed initial display of temperature for md-vv-avek
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-07-08
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-08
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-07
Peter Kasson
Changed #ifdef option to allow forced trr write on...
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2010-06-30
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-27
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-27
Michael Shirts
*Started to add support of nstcalcenergy to vv versions...
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2010-06-25
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-22
Sander Pronk
Most (if not all) file operations are now thread safe.
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2010-06-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Berk Hess
fix for the previous mdrun -rerun commit
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2010-06-17
Berk Hess
mdrun -rerun now reads the rerun traj only on the maste...
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2010-06-17
Berk Hess
minor update for previous replex bugfix
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2010-06-17
Carsten Kutzner
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-17
Berk Hess
fixed mdrun -rerun giving NaN with dispcorr
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2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-11
Berk Hess
fixed mdrun counter resetting issues
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2010-06-11
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-11
Michael Shirts
Fixed various logic problems preventing proper energy...
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2010-06-10
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-10
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-10
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-10
Berk Hess
fixed uninitialized variable in do_md
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-05-19
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-19
Teemu Murtola
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-19
Berk Hess
fixed mdrun unwantingly modifying nstenergy and nstlog
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2010-05-16
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-16
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-12
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-12
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-12
Sander Pronk
Now does something useful with the USR1 signal.
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2010-05-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-11
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-11
Sander Pronk
Further changes to the signal handling.
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2010-05-10
Sander Pronk
Cleaned up signal handling code.
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Berk Hess
Merge commit 'origin/2dpme'
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2010-05-06
Berk Hess
fixed some details for nstcalcenergy>1
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2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-30
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-30
Berk Hess
fixed multiple print of run termination message
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-04-04
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-04
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-04-01
Rossen Apostolov
Minor fixes of typos.
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2010-03-24
Per Larsson
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-23
Berk Hess
fixed some valgrind warnings
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