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Fix isotope grid-point specification

This commit is contained in:
Atsushi Togo 2014-05-01 21:55:52 +09:00
parent fe481eda28
commit 4ecd6f7937
1 changed files with 2 additions and 1 deletions
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3
anharmonic/phonon3/conductivity.py
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@ -208,7 +208,8 @@ class Conductivity:
pp_eigvecs, pp_eigvecs,
pp_phonon_done, pp_phonon_done,
dm=self._dm) dm=self._dm)
self._isotope.set_grid_point(i) gp = self._grid_points[i]
self._isotope.set_grid_point(gp)
self._isotope.run() self._isotope.run()
self._gamma_iso[j, i] = self._isotope.get_gamma() self._gamma_iso[j, i] = self._isotope.get_gamma()