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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
kernel
/
openmm_wrapper.cpp
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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2012-09-30
Roland Schulz
Fix problems found by cppcheck 1.56
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
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2012-06-24
Michael Shirts
Merge "Fix mdp_opt formatting of expanded ensemble...
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2012-06-22
Christoph Junghans
Merge "Simple patch for openmm_wrapper.cpp" into releas...
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2012-06-15
Justin Lemkul
Simple patch for openmm_wrapper.cpp
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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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
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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2012-04-03
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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2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-03-15
Roland Schulz
Fix most errors found by cppcheck
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2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-02-21
Berk Hess
added support for harmonic potential (bond type 7)...
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-10-29
Szilard Pall
fixed the default for OpenMM plugin dir location (bug...
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2010-09-01
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-09-01
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Rossen Apostolov
OpenMM now accepts cut-off method, since it's needed...
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2010-08-31
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Szilard Pall
Merge branch 'release-4-5-patches' of git://git.gromacs...
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2010-08-31
Szilard
Removed leftover debug message from openmm_wrapper
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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
Modified the OpenMM wrapper interface to support the...
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-23
Rossen Apostolov
Fixed a typo about non-existing macro in OpenMM
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2010-08-21
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-19
Rossen Apostolov
Enable the Reference platform for OpenMM.
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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
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Rossen Apostolov
Fixed the execution order in OpenMM so that the generat...
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2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-08-16
Rossen Apostolov
Added support for improper dihedrals needed for CHARMM...
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2010-08-12
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-12
Rossen Apostolov
OpenMM: added support for AmberFF proper/improper torsi...
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2010-07-23
Rossen Apostolov
Adjust ewald_rtol when passing it to OpenMM.
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2010-07-23
Berk Hess
added openmm wrapper RF parameter checks
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2010-07-21
Rossen Apostolov
ewald_rtol adjustment for OpenMM.
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2010-07-20
Rossen Apostolov
Disabled adjustment of ewald_rtol for OpenMM.
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2010-07-20
Rossen Apostolov
Added support for OpenMM-2.0, and CUDA-3.1 is now required.
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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
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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2010-06-17
Szilard Pall
fixed minor bug in openmm_wrapper.cpp
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2010-06-11
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-10
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-10
Szilard Pall
fixed warnings in gmx_gpu_utils and openmm_wrapper
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-07
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-07
Rossen Apostolov
Issue a warning about using hardcoded OBC scale factors...
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2010-06-07
Rossen Apostolov
OpenMM interface: issue a warning when the specified...
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2010-06-04
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-03
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-01
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-01
Szilard Pall
fixed OpenMM interaction type check
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2010-05-30
Szilard Pall
OpenMM: added combination rule check, disabled restrain...
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2010-05-28
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-26
Szilard Pall
Fixed some compiler warinigs, minor bugs and documentat...
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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
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-19
Szilard Pall
fixed the PME tolerance "adjustment" for OpenMM
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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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2010-05-14
Rossen Apostolov
The relative error for calculation of Ewald and PME...
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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
Szilard Pall
Fix in openmm_wrapper which makes it work with MSVC.
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2010-05-12
Rossen Apostolov
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-12
Rossen Apostolov
Fix for Urey-Bradley potential in OpenMM
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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
Szilard Pall
minor fixes in documentation + some debugging code...
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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
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-11
Rossen Apostolov
Added support for Urey-Bradley potentials to the openmm...
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2010-05-11
Erik Marklund
Merge branch 'master' into hbond
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2010-05-11
Erik Marklund
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-10
Szilard Pall
only issue openmm constrints warning if constrainsta...
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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
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Szilard Pall
added gromacs file headers to the OpenMM-related files
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2010-05-07
Szilard Pall
minor fixes, documentation and slight API change in...
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2010-05-07
Berk Hess
Merge commit 'origin/2dpme'
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2010-05-04
Rossen Apostolov
Fixed improper error message in openmm_wrapper.
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2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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