853d25fba0
Last occurrence of h_psiq deleted from phonon. Still present in D3 and GWW.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12495 c92efa57-630b-4861-b058-cf58834340f0
2016-06-14 15:46:08 +00:00
085bf333f5
More removal of index I/O in the phonon code - again, shuld be harmless but
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please check
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12459 c92efa57-630b-4861-b058-cf58834340f0
2016-06-03 13:22:19 +00:00
78622ed13a
compilation ok with orthogonalize.f90 moved to LR_Modules
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module control_ph split into PH/control_ph + a minimal LR_Modules/control_lr
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12015 c92efa57-630b-4861-b058-cf58834340f0
2016-01-19 22:39:03 +00:00
4cdd6b5e0a
mp_global substituted with mp_pools, mp_bands, mp_images in the phonon code.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10664 c92efa57-630b-4861-b058-cf58834340f0
2014-01-07 15:46:06 +00:00
b50b8f67bd
intra_pool_comm -> intra_bgrp_comm in all phonon routines.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9801 c92efa57-630b-4861-b058-cf58834340f0
2013-01-18 16:06:49 +00:00
38e798eed7
h_psiq hack: I think it is preferrable to give to igkq the correct value
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in the external loop over k-points, rather than passing it as an argument.
Just two lines in TD-DFPT needed. Routine commutator_Hx_psi, used only by
linear-response code, moved to PHonon: no reason to have it in PW
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8659 c92efa57-630b-4861-b058-cf58834340f0
2012-02-15 20:31:07 +00:00
eebb8de9ec
I've modified h_psiq in order to accept one more argument (the igkq mapping) and get rid of those if/then conditions.
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I would also suggest we should try really hard to NOT introduce this kind of hacks, especially not in core subroutines.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8622 c92efa57-630b-4861-b058-cf58834340f0
2012-02-13 15:06:05 +00:00
4de42518ea
No reason to have both __PARA and __MPI preprocessing options: they have the same meaning. __MPI is more explicit, so I am keeping it
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8572 c92efa57-630b-4861-b058-cf58834340f0
2012-02-02 22:12:26 +00:00
2496b745bd
PH re-structured. PH Now called PHonon, D3 and Gamma moved to dir PHonon
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8158 c92efa57-630b-4861-b058-cf58834340f0
2011-09-21 13:43:24 +00:00
giannozz