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(parent: 6a4e6af) | patch
replaced PPPM by P3M-AD: a few lines in pme.c
authorBerk Hess <hess@kth.se>
Tue, 24 Apr 2012 07:48:49 +0000 (09:48 +0200)
committerBerk Hess <hess@kth.se>
Wed, 25 Apr 2012 20:07:40 +0000 (22:07 +0200)
commita41bb80c9865f3bc959cf1aaceed8188d458947b
tree5c0f4d76af0c22c62616fadf2442840a099c5535tree | snapshot
parent6a4e6af7c8572b08cb451df10ed4d2cb9aafa2f4commit | diff
replaced PPPM by P3M-AD: a few lines in pme.c

The deprecated PPPM method has been replaced by P3M-AD: a PPPM method
with analytical derivative. The full code path of P3M-AD is identical
to PME, except for the moduli calculation, which use the influence
function optimized for the grid.

Change-Id: I53d08d9ff4e909dc1a34dce668f4dea8f26f728e
24 files changed:
include/coulomb.h diff | blob | history
include/pppm.h [deleted file] blob | history
include/types/enums.h diff | blob | history
include/update.h diff | blob | history
share/html/online/mdp_opt.html diff | blob | history
src/gmxlib/copyrite.c diff | blob | history
src/gmxlib/names.c diff | blob | history
src/gmxlib/shift_util.c diff | blob | history
src/kernel/grompp.c diff | blob | history
src/kernel/md.c diff | blob | history
src/kernel/md_openmm.c diff | blob | history
src/kernel/readir.c diff | blob | history
src/kernel/runner.c diff | blob | history
src/mdlib/coupling.c diff | blob | history
src/mdlib/force.c diff | blob | history
src/mdlib/forcerec.c diff | blob | history
src/mdlib/ghat.c [deleted file] blob | history
src/mdlib/md_support.c diff | blob | history
src/mdlib/minimize.c diff | blob | history
src/mdlib/pme.c diff | blob | history
src/mdlib/pppm.c [deleted file] blob | history
src/mdlib/sim_util.c diff | blob | history
src/mdlib/tables.c diff | blob | history
src/tools/gmx_membed.c diff | blob | history
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