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fixed multiple distance restraints with OpenMP
[alexxy/gromacs.git]
/
src
/
mdlib
/
minimize.c
2013-09-21
Berk Hess
fixed multiple distance restraints with OpenMP
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2013-08-20
Berk Hess
fixed parallel normal modes with PME
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2013-05-21
Michael Shirts
Fixed problem with bond constraint dhdl being left out
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2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Roland Schulz
Code beautification with uncrustify
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2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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2013-01-17
Mark Abraham
Merge "Remove unnecessary ICC flags affecting performan...
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2013-01-17
Mark Abraham
Merge "improved CUDA kernel performance by pre-loading...
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2013-01-17
Christoph Junghans
Merge "Added note about make_edi and flooding in ED...
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2013-01-17
Christoph Junghans
Merge "use the compiler version provided by CMake ...
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2013-01-17
Roland Schulz
Merge "Merge branch 'release-4-5-patches' into release...
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-17
Roland Schulz
Merge "Added check for valid wall_atomtype in .mdp...
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2013-01-15
Christoph Junghans
Merge "Added fatal error for constraints + L-BFGS minim...
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2013-01-14
Mark Abraham
Added fatal error for constraints + L-BFGS minimizer
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-08
Christoph Junghans
Merge "auto-set nvcc host compiler with FindMPI detecti...
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2012-11-08
Erik Lindahl
Infrastructure for new group kernels, and new C kernels
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-07-31
Christoph Junghans
Merge "Clarified reasons for termination of EM" into...
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2012-07-30
Mark Abraham
Clarified reasons for termination of EM
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2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
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2012-07-15
David van der Spoel
Merge "Autogenerate gromacs.7 from programs.txt" into...
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-07-03
Elton Carvalho
Fixed L-BFGS trajectory output.
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2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-06-01
Christoph Junghans
Merge "Use External BLAS/LAPACK by default" into releas...
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2012-05-24
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
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2012-05-17
Teemu Murtola
Merge "Fixing more clang warnings" into release-4-6
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2012-05-17
Maarten Wolf
mv membed.h from include to src/kernel
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2012-05-09
Christoph Junghans
Merge "Backporting "moving membed to mdrun" from master...
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2012-05-08
Maarten Wolf
Backporting "moving membed to mdrun" from master
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2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-29
David van der Spoel
Merge "changed number of iatoms for F_SETTLE from 1...
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2012-04-29
David van der Spoel
Merge "added support for graphs not starting at 0"...
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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2012-04-26
Berk Hess
fixed dispersion correction with parallel EM
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2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
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2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-21
Roland Schulz
Removing unused code
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2012-03-13
Christoph Junghans
Merge "Vibration spectra from velocity ACF or Normal...
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2012-03-09
Roland Schulz
Merge "Improve FindFFTW" into release-4-6
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2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-02-28
Berk Hess
fixed array index out of bounds in EM force trr storage
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-09-07
Berk Hess
removed (nan) average printing with normal modes
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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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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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Berk
all em integrators now set the runtime
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2010-07-30
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Berk
made integrator nm work in parallel
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-06-30
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-28
Berk Hess
added mdrun -cptnum option to keep and number checkpoints
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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
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-16
kasson
Merge branch 'mymaster'
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2010-06-16
Berk Hess
all energy minimizers now do 0 steps with nsteps=0...
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-04-17
Peter Kasson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-09
kasson
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-04-09
Berk
proper fix for initial constraining with DD and EM
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2010-04-09
Berk
fixed bug in initial constraining with DD and EM
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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
Berk Hess
added check for NM and constraints
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2010-03-13
Berk
fixed accidental revert of minimize.c
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2010-03-13
Berk
added missing include
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-11
Berk Hess
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-11
Rossen Apostolov
Initial porting, do_md_openmm_nopatch.h is used.
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2010-03-07
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-03-01
Berk Hess
split off chargegroup.c from pbc.c and tpi.c from minim...
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2010-02-24
Sander Pronk
Signal handler now listens to SIGINT (ctrl-c).
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2010-02-19
Berk
replaced the 5 boolean parameters for write_traj by...
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2010-02-18
Berk
removed some double initialization code in mdrun
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2010-02-15
Berk Hess
collected all the mdrun parallel signals into one data...
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2010-02-10
Berk Hess
replaced the greek xvg symbol escape sequences in gmxli...
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2010-02-09
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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