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Commit 5bc13711 authored by Pardini, Lorenzo (lopa)'s avatar Pardini, Lorenzo (lopa)
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fixed a bug in simulation_reciprocal_cell

parent b0e0fe9b
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parser/parser-exciting/parser_exciting.py
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...@@ -27,7 +27,7 @@ class ExcitingParserContext(object): ...@@ -27,7 +27,7 @@ class ExcitingParserContext(object):
recCell = [[recLatticeX[0],recLatticeY[0],recLatticeZ[0]], recCell = [[recLatticeX[0],recLatticeY[0],recLatticeZ[0]],
[recLatticeX[1],recLatticeY[1],recLatticeZ[1]], [recLatticeX[1],recLatticeY[1],recLatticeZ[1]],
[recLatticeX[2],recLatticeY[2],recLatticeZ[2]]] [recLatticeX[2],recLatticeY[2],recLatticeZ[2]]]
backend.addValue("simulation_reciprocal_cell", recCell) backend.addValue("x_exciting_simulation_reciprocal_cell", recCell)
def onClose_x_exciting_section_xc(self, backend, gIndex, section): def onClose_x_exciting_section_xc(self, backend, gIndex, section):
xcNr = section["x_exciting_xc_functional"][0] xcNr = section["x_exciting_xc_functional"][0]
......
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