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added Verlet scheme and NxN non-bonded functionality
[alexxy/gromacs.git]
/
src
/
mdlib
/
fft5d.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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2012-09-03
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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2012-06-25
Szilard Pall
introduce gmx_omp wrapper for the OpenMP API
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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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2012-05-29
Christoph Junghans
Merge "Revised g_tune_pme" into release-4-6
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2012-05-27
David van der Spoel
Merge "added explicit sqrtf to the float version of...
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2012-05-25
David van der Spoel
Merge "grompp now retains the order of bonds converted...
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2012-05-25
Christoph Junghans
Merge "Fix that sigaction mask wasn't zeroed" into...
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2012-05-24
Berk Hess
now mdrun always initializes MPI
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2012-05-24
Teemu Murtola
Merge "Code cleanup to avoid name collisions" into...
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2012-05-23
Roland Schulz
Code cleanup to avoid name collisions
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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
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
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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2012-04-23
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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2012-03-16
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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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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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-13
Roland Schulz
Merge "Converted macro usage for readability" into...
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2011-12-12
Mark Abraham
Fixed macros that ended in semicolons
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2011-12-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-08
Roland Schulz
Merge "Added an option to easily compile contrib progra...
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2011-11-28
Roland Schulz
Fix FFTW API usage
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2011-11-27
Roland Schulz
Merge "Fixes inconsistent spelling of Git cmake variabl...
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2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
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2011-11-27
Roland Schulz
Merge "Replace '_' in all mdp options to '-'" into...
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2011-11-27
Roland Schulz
Merge "Cleaning up some bad coding practices" into...
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2011-11-25
Roland Schulz
Cleaning up some bad coding practices
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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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2011-02-11
Mark Abraham
Removed ancient CVS tag lines
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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
changed the order of the outer loops in the fft5d trans...
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2010-08-25
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-25
Erik Lindahl
Made sure all source files have some copyright header...
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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
Berk Hess
put omp pragma's in fft5d.c between ifdef's
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2010-08-16
Berk Hess
added openmp pragma's for the fft5d transpose routines
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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
Roland Schulz
Initialize FFT data. So that Valgrind doesn't complain
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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
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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2010-06-12
Sander Pronk
More C90 pedantry.
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2010-06-12
David van der Spoel
Fixed a lot of spelling errors in comments and document...
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2010-06-11
Sander Pronk
Removed references to MPI_Wtime() for when MPI is not...
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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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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
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-11
Roland Schulz
undo (accidential) change to FFTW_PATIENT
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2010-05-11
Roland Schulz
using standard GMX names for real/complex
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2010-05-11
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-11
Berk Hess
added check for sys/time.h existence
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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
Roland Schulz
fixed return for gmx_fft_many_1d*
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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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2010-05-03
Berk Hess
removed incorrect PME grid factor check
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2010-04-30
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-30
Berk
made mpi timing call in fft5d.c conditional
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2010-04-29
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-04-06
Roland Schulz
use gmx_alloc_aligned for fft data
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2010-04-04
Berk
fixed 2dpme thread compilation issues
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2010-03-16
Roland Schulz
+ Removed all FFTW dependencies of FFT5D
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2010-03-16
Roland Schulz
calling gmx_fft for 1D FFTs instead of directly calling...
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2010-03-15
Roland Schulz
directly call fftw for serial case
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2010-03-15
Roland Schulz
removed memcpy for both no-MPI and 1D decomposition
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2010-02-08
Roland Schulz
fix to FLT_EPSILON
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