fda52ef8ce
Bugfix casino2upf.x. FOr somereason the combination of Portland Group compiliers and iotk didn't like writing UPF files to stdout. Behaviour of casino2upf modified so that now the output is written to a filename specified in the input. If no filename is specified this defaults to out.UPF.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8061 c92efa57-630b-4861-b058-cf58834340f0
2011-08-08 12:45:46 +00:00
90e0e3b2ef
Documentation (sort of) updated
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7999 c92efa57-630b-4861-b058-cf58834340f0
2011-07-22 13:17:59 +00:00
d708b6e7e9
upf2casino.x now halts if a non norm-conserving pp is passed to it, as these are unsupported by CASINO.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7818 c92efa57-630b-4861-b058-cf58834340f0
2011-05-24 13:07:54 +00:00
b7cbf738ac
Final minor changes to user guide and upftools/README for CASINO support.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7637 c92efa57-630b-4861-b058-cf58834340f0
2011-03-29 16:35:28 +00:00
feadb46779
Some minor changes to upftools/README.
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7623 c92efa57-630b-4861-b058-cf58834340f0
2011-03-27 14:05:29 +00:00
9e54b83ba8
Updated casino2upf.x
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It now generates UPFv2 files, respects choice of lloc in the original CASINO pp files and more. Documented in the (updated) upftools/README.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7622 c92efa57-630b-4861-b058-cf58834340f0
2011-03-26 18:36:16 +00:00
ba6a887412
added CASINO pseudo part in upftools/README, courtesy of M. Towler
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7603 c92efa57-630b-4861-b058-cf58834340f0
2011-03-24 15:34:05 +00:00
04f8296537
Change UPF name with README in upftools dir
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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7601 c92efa57-630b-4861-b058-cf58834340f0
2011-03-24 15:30:21 +00:00
sbinnie