sbraccia
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726db3d420
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Fixed a serious bug in the path interpolator (spotted by Nicola Bonini)
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@684 c92efa57-630b-4861-b058-cf58834340f0
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2004-02-27 10:33:02 +00:00 |
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sbraccia
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58b745aa18
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Fixed a bug in the path interpolator script (path_int.sh).
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@604 c92efa57-630b-4861-b058-cf58834340f0
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2004-02-16 17:02:25 +00:00 |
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sbraccia
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918f6b1cab
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Fixed a couple of bugs in the path interpolator tool. Manual updated.
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@578 c92efa57-630b-4861-b058-cf58834340f0
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2004-02-09 14:25:15 +00:00 |
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sbraccia
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5cf4cc06c9
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Fixed a small bug in the shell script.
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@573 c92efa57-630b-4861-b058-cf58834340f0
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2004-02-06 18:29:11 +00:00 |
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sbraccia
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cef94b54cf
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Added a tool to generate a new path (what is actually generated is the restart file) starting from an old one. The new path is obtained through interpolation (cubic splines). The new path can be discretized with a different number of images (this is its main pourpose), images are equispaced and the interpolation can be also performed on a subsection of the old path. A self explanatory shell script is also included: it permits an easier manipulation of the input file.
C.S.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@569 c92efa57-630b-4861-b058-cf58834340f0
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2004-02-06 11:59:40 +00:00 |