Fixed program name.

da34ee2d · Markus Scheidgen · 6b536f8f · da34ee2d
Commit da34ee2d authored Aug 13, 2019 by Markus Scheidgen
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molcasparser/main.py molcasparser/main.py +1 -1

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--- a/molcasparser/main.py
+++ b/molcasparser/main.py
@@ -646,7 +646,7 @@ def main_file_description():
        name='root',
        weak=True,
        startReStr='',
-        fixedStartValues={'program_name': 'Molcas',
+        fixedStartValues={'program_name': 'MOLCAS',
                        'program_basis_set_type': 'gaussians'},
        sections=['section_run'],
        subMatchers=[