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Commit 801fd628 authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
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meta 2.0 changes

parent 6f79935d
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...@@ -78,13 +78,13 @@ class OnetepBandParserContext(object): ...@@ -78,13 +78,13 @@ class OnetepBandParserContext(object):
# Reading the number of spins # Reading the number of spins
def onClose_x_Onetep_section_spin_number(self, backend, gIndex, section): def onClose_x_onetep_section_spin_number(self, backend, gIndex, section):
self.n_spin = section['x_Onetep_spin_number'] self.n_spin = section['x_Onetep_spin_number']
# Storing the k point coordinates # Storing the k point coordinates
def onClose_x_Onetep_section_scf_k_points(self, backend, gIndex, section): def onClose_x_onetep_section_scf_k_points(self, backend, gIndex, section):
"""trigger called when _section_eigenvalues""" """trigger called when _section_eigenvalues"""
# Processing k points (given in fractional coordinates) # Processing k points (given in fractional coordinates)
...@@ -100,7 +100,7 @@ class OnetepBandParserContext(object): ...@@ -100,7 +100,7 @@ class OnetepBandParserContext(object):
# Storing the eigenvalues # Storing the eigenvalues
def onClose_x_Onetep_section_scf_eigenvalues(self, backend, gIndex, section): def onClose_x_onetep_section_scf_eigenvalues(self, backend, gIndex, section):
"""trigger called when _section_eigenvalues""" """trigger called when _section_eigenvalues"""
Ha_to_J = 4.35974e-18 Ha_to_J = 4.35974e-18
#get cached values of Onetep_store_k_points #get cached values of Onetep_store_k_points
......
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...@@ -50,7 +50,7 @@ object OnetepParser extends SimpleExternalParserGenerator( ...@@ -50,7 +50,7 @@ object OnetepParser extends SimpleExternalParserGenerator(
"parser-onetep/setup_paths.py", "parser-onetep/setup_paths.py",
"nomad_meta_info/public.nomadmetainfo.json", "nomad_meta_info/public.nomadmetainfo.json",
"nomad_meta_info/common.nomadmetainfo.json", "nomad_meta_info/common.nomadmetainfo.json",
"nomad_meta_info/meta_types.nomadmetainfo.json", "nomad_meta_info/meta.nomadmetainfo.json",
"nomad_meta_info/onetep.nomadmetainfo.json" "nomad_meta_info/onetep.nomadmetainfo.json"
) ++ DefaultPythonInterpreter.commonFiles(), ) ++ DefaultPythonInterpreter.commonFiles(),
dirMap = Map( dirMap = Map(
......
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