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Commit 832fcac5 authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
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set program_name and basis_set_type

parent d4322265
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parser/parser-dftb+/parser_dftb_plus.py
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...@@ -88,6 +88,7 @@ mainFileDescription = SM( ...@@ -88,6 +88,7 @@ mainFileDescription = SM(
required = True, required = True,
forwardMatch = True, forwardMatch = True,
sections = ['section_run'], sections = ['section_run'],
fixedStartValues={'program_name': 'DFTB+', 'program_basis_set_type': 'LCAO'},
subMatchers = [ subMatchers = [
SM(name = 'header', SM(name = 'header',
startReStr = r"\s*Fermi distribution function", startReStr = r"\s*Fermi distribution function",
......
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