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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
mdlib
/
pme.c
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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2012-09-24
Kasson
Merge "Fixed segfault with FE code for older tpr files...
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2012-09-10
Roland Schulz
Merge "Update use of CPack components and add install...
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2012-09-07
Christoph Junghans
Merge "Fix VMD plugins on Windows" into release-4-6
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2012-09-04
Christoph Junghans
Merge "Fixes too many backup files for *.nroff files...
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2012-09-03
Kasson
Merge "Document correct comm_mode option" into release...
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2012-09-03
Kasson
Merge "Improved pdb2gmx output" into release-4-5-patches
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-08-29
Berk Hess
bug fix for pme.c MPI_COMM_NULL fix dcf8b67e
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2012-07-25
Roland Schulz
Merge "fix a segfault in sse_mask_init" into release-4-6
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2012-07-17
Berk Hess
fix a segfault in sse_mask_init
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-07-05
Christoph Junghans
Merge "Don't rerun checks and be quiet 2nd time cmake...
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2012-06-29
Sebastian Fritsch
Merge "Fixed adress kernel for double precision" into...
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2012-06-28
Christoph Junghans
Merge "Fix MPI build for MPI library without mpi wrappe...
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2012-06-27
Szilard Pall
fixes typo gmx_omp introduced by 697bcdc
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2012-06-26
Roland Schulz
Merge "Fix gmx_fatal for serial compilation" into relea...
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2012-06-25
Szilard Pall
introduce gmx_omp wrapper for the OpenMP API
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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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2012-06-16
Erik Lindahl
New CPU detection & AVX/SSE code, removed raw assembly...
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-05-08
Roland Schulz
Fixing more Clang warnings
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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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2012-04-28
Berk Hess
fixed PME forces with FE, fixes #929 introduced in...
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2012-04-28
Teemu Murtola
Merge "Fix for sigaction" into release-4-6
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2012-04-28
Roland Schulz
Fix srenew/sfree_aligned misuse in PME
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2012-04-28
Mark Abraham
Merge "Remove checks based on Generator" into release...
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2012-04-28
Mark Abraham
Merge "Fix version info generation for autoconf." into...
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2012-04-27
Berk Hess
fixed segv in TPI with PME, fixes #927
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2012-04-27
Berk Hess
changed PME MPI_Comm comparisions to MPI_COMM_NULL...
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2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
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2012-04-25
Berk Hess
replaced PPPM by P3M-AD: a few lines in pme.c
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2012-04-23
Christoph Junghans
Merge "compiler flag fixes" into release-4-6
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2012-04-22
Roland Schulz
Resolving a couple of clang analyzer warnings
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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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2012-03-20
Roland Schulz
Fix incorrect fclose usage
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2012-03-16
Roland Schulz
Merge release-4-5-patches 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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2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-08
Christoph Junghans
Merge "fixed confusing nonbonded kernel pointer initial...
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2012-02-03
David van der Spoel
Merge "Improved the accuracy of the sd1 integrator...
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2012-02-02
Szilárd Páll
Merge "Merges in threading branch as one squashed commi...
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2012-02-02
Roland Schulz
Merges in threading branch as one squashed commit
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2010-12-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-12-21
Berk Hess
pme.c work-around for MPI fatal error in pme with partt...
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2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-15
Berk Hess
more fixes for TPI with PME, now really fixed bugzilla 590
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2010-10-09
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-08
Berk Hess
made combination of tpi and pme work again in parallel
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2010-10-08
Berk Hess
fixed combination of tpic with pme, pme mesh energy...
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2010-09-09
Mark Abraham
Spelling fix
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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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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2010-08-13
hess
fixed apme bug that caused slightly incorrect results...
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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
Berk Hess
reverted the last, non-cosmetic change to pme.c
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2010-08-12
Berk Hess
minor cosmetic changes in pme.c
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2010-08-04
Erik Lindahl
Fixed accuracy issues in gmx_mm_log_ps(), and added...
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2010-07-28
Christoph Junghans
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-07-28
Berk Hess
renamed pme_maxshift0/1 to pme_maxshift_x/y
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-02
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-02
Berk
fixed bug with PME nodes_x/y > nkx/y
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2010-06-27
Michael Shirts
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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2010-06-21
Berk Hess
fixed typo in fatal_error call
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-05-19
Teemu Murtola
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-18
Erik Marklund
Merge branch 'master' into hbond
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2010-05-18
Berk Hess
implement SSE exp calculation for solve_pme
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2010-05-17
Berk Hess
reordered pme_solve_yzx arguments
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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
Berk Hess
minor pme_solve virial optimization
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2010-05-14
Berk Hess
fixed segv with mdrun -npme 1
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2010-05-10
Sander Pronk
Restored proper signal handling when PME nodes are...
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2010-05-08
Berk
removed superfluous lines in solve_pme
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2010-05-07
Sander Pronk
Fixed an uninitialized variable in pme.c (solve_pme_yzx).
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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
made PME energy and virial calculation optional
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2010-05-07
Berk Hess
Merge commit 'origin/2dpme'
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2010-05-07
Berk Hess
removed solve_xyz
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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
fixed the pme flop counts
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2010-04-29
Berk Hess
Merge commit 'origin/master' into 2dpme
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