Add program_name and program_basis_set_type

d31460b4 · ankit kariryaa · db28c8d7 · d31460b4
Commit d31460b4 authored Mar 30, 2016 by ankit kariryaa
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parser/parser-gaussian/parser_gaussian.py parser/parser-gaussian/parser_gaussian.py +1 -0

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--- a/parser/parser-gaussian/parser_gaussian.py
+++ b/parser/parser-gaussian/parser_gaussian.py
@@ -16,6 +16,7 @@ mainFileDescription = SM(
           repeats = True,
           required = True,
           forwardMatch = True,
+           fixedStartValues={'program_name': 'Gaussian', 'program_basis_set_type': 'gaussians' },
           sections   = ['section_run','section_method'],
           subMatchers = [
               SM(name = 'header',