e2e448ad37
Reference data updated, wall time properly printed
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7031 c92efa57-630b-4861-b058-cf58834340f0
2010-08-30 11:50:20 +00:00
544f8ad0e8
CP tests updated. Please check!
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6528 c92efa57-630b-4861-b058-cf58834340f0
2010-03-21 10:43:00 +00:00
4c1a5e47c8
variables nelec, nelup and neldw removed from input
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now only tot_charge, tot_magnetization (REAL!) and multiplicity are available.
documentation updated
inputs in examples, tests and cptest updated
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5949 c92efa57-630b-4861-b058-cf58834340f0
2009-09-18 13:30:27 +00:00
6d65827621
- paramagnetic O2 molecule test added
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5891 c92efa57-630b-4861-b058-cf58834340f0
2009-09-06 17:27:25 +00:00
51936986e3
- further cp tests
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5887 c92efa57-630b-4861-b058-cf58834340f0
2009-09-05 21:59:09 +00:00
8a9595b666
- more on cp checks
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5873 c92efa57-630b-4861-b058-cf58834340f0
2009-08-30 22:05:47 +00:00
26de33c06e
- starting a cp.x check system similar to the one for pw.x
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5872 c92efa57-630b-4861-b058-cf58834340f0
2009-08-30 10:11:18 +00:00
giannozz