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Fixes reaction field free energy bug
[alexxy/gromacs.git]
/
src
/
gmxlib
/
nonbonded
/
nb_free_energy.c
2013-10-02
Berk Hess
Fixes reaction field free energy bug
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2013-09-18
Berk Hess
made free energy PME kernel 40% faster
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2013-05-17
Mark Abraham
Introduce fatal error for GB with FE
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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
Berk Hess
fixed issues with FEP soft-core and cut-off's
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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 branch 'release-4-5-patches' into release-4-6
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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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2012-11-27
Erik Lindahl
Merge "Added affinity support check, visibility macros...
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-26
Roland Schulz
Merge "Clean up some mathematical constants" into relea...
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2012-11-26
Mark Abraham
Clean up some mathematical constants
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2012-11-23
Roland Schulz
Merge "improve FindGROMACS.cmake" into release-4-6
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2012-11-23
Szilárd Páll
Merge "Updates to CMake treatment of OpenMP" into relea...
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2012-11-23
Roland Schulz
Merge changes I88f0dcef,I86b2a8cf,I70fb7e6d into releas...
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2012-11-22
Erik Lindahl
Fixed LJ-14 error in free energy
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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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2012-10-01
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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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-06-04
Michael Shirts
Merging in free energy, exp. ensemble, & andersen t...
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-06
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-05
Berk Hess
sc_sigma now also sets the minimum value for the soft...
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
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2010-01-04
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-01
Michael Shirts
Fix for nonbondeds.
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2010-01-01
Michael Shirts
More fixes for the multicomponent lambda.
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2010-01-01
Michael Shirts
Latest revision of free energy changes.
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-19
Michael Shirts
Committing to merge
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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-08-30
kasson
Tool merge
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2009-08-27
Per Larsson
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-26
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-26
Erik Lindahl
Changed invsqrt() to gmx_invsqrt() to accuracy loss...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-03-27
hess
implemented foreign lambda free energy difference code
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2009-03-07
lindahl
Fixed windows portability issues, and renamed some...
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2007-06-13
lindahl
Reverted out the multilambda supported committed yesterday.
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2007-06-12
lindahl
Initial multilambda support added, i.e. we can now...
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2005-09-12
lindahl
Fixed bug where wrong table was used for free energy...
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2005-08-30
hess
implemented support for different lambda powers in...
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2005-08-30
lindahl
Fixed compiler warnings on intel and IBM xlC.
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2005-08-29
lindahl
Fixed compiler warning issues.
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2005-08-25
hess
fixed a big in the rB calculation
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2005-08-24
hess
fixed the last bugs with Ewald in the free energy loops
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2005-08-24
hess
fixed innerloop indexing bug introduced in the previous...
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2005-08-24
lindahl
Separate generic loop for nonbonded free energy.
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biod.pnpi.spb.ru / alexxy / gromacs.git / history