21b59d0f62
Introduced a new input variable: no_t_rev.
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If .true. the symmetry operations that require time reversal are not used.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6992 c92efa57-630b-4861-b058-cf58834340f0
2010-08-19 09:33:14 +00:00
5ebf59442f
Some cleaup using the new routine in symm_base.
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Removed the unused old routine setupkpt.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6933 c92efa57-630b-4861-b058-cf58834340f0
2010-07-31 15:37:59 +00:00
764aa9d24e
Added a few routines to symm_base.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6932 c92efa57-630b-4861-b058-cf58834340f0
2010-07-31 15:07:20 +00:00
236056c1b6
More unallocated variables (courtesy of Vittorio Zecca)
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6625 c92efa57-630b-4861-b058-cf58834340f0
2010-04-14 13:45:43 +00:00
52a8e4d3cf
More symmetry cleanup: symmetries in cartesian axis are calculated once
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and for all and kept in symm_base module. I haven't noticed any side
effects, but beware.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6438 c92efa57-630b-4861-b058-cf58834340f0
2010-02-18 14:47:03 +00:00
0afbf24881
More symmetry cleanup: checksym and cheall sym inside module symm_base.
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checkallsym is called only when atoms are moved or when data file is read.
sgama gven a more dscriptive name (find_sym)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6409 c92efa57-630b-4861-b058-cf58834340f0
2010-02-14 15:36:56 +00:00
491a18c860
More symmetry cleanup
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6408 c92efa57-630b-4861-b058-cf58834340f0
2010-02-13 20:16:52 +00:00
da3f938442
More symmetry cleanup (sort of). Symmetry-related variables, together with
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routines that find the symmetry of a system, are in module symm_base;
module symme contains only routines for symmetrization of the various
quantities.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6403 c92efa57-630b-4861-b058-cf58834340f0
2010-02-12 20:57:55 +00:00
dalcorso