giannozz
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656ada51fb
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Source "normalization"
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@9120 c92efa57-630b-4861-b058-cf58834340f0
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2012-06-20 13:29:10 +00:00 |
sbinnie
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57bf5a04d5
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CASINO/UPF converter bug. Missing nullify_* calls causing problems with gfortran compilers.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8237 c92efa57-630b-4861-b058-cf58834340f0
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2011-11-13 15:23:54 +00:00 |
sbinnie
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d708b6e7e9
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upf2casino.x now halts if a non norm-conserving pp is passed to it, as these are unsupported by CASINO.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7818 c92efa57-630b-4861-b058-cf58834340f0
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2011-05-24 13:07:54 +00:00 |
sbinnie
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63147278c0
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Added upf2casino.x to upftools. This allows conversion from UPF pseudopotential format to the tabulated format used by the CASINO code. As part of this update the relevent subroutines have been split off from casino2upf.x and put in the newly created casino_pp module, in upftools.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7585 c92efa57-630b-4861-b058-cf58834340f0
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2011-03-15 17:45:49 +00:00 |