From 14159f66632563087170cdcb16b276c31f60edaa Mon Sep 17 00:00:00 2001 From: lopa Date: Wed, 3 Aug 2016 16:50:12 +0200 Subject: [PATCH] fixed small bug in the re --- parser/parser-elk/parser_elk.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/parser/parser-elk/parser_elk.py b/parser/parser-elk/parser_elk.py index 8fbd940..a8055e0 100644 --- a/parser/parser-elk/parser_elk.py +++ b/parser/parser-elk/parser_elk.py @@ -29,13 +29,14 @@ mainFileDescription = \ weak = True, subMatchers = [ SM(name = "header", - startReStr = r"\s*\|\s*Elk version\s*(?P[-a-zA-Z0-9]+)\s*started\s*=", + startReStr = r"\s*\|\s*Elk version\s*(?P[-a-zA-Z0-9\.]+)\s*started\s*", fixedStartValues={'program_name': 'elk', 'program_basis_set_type': '(L)APW+lo' }, sections = ["section_run", "section_method"], subMatchers = [ SM(name = 'input', - startReStr = r"\|\sGroundi\-state run starting from atomic densities\s\|\s", - endReStr = r"\|\sDensity and potential initialised from atomic data\s", + startReStr = r"All units are atomic \(Hartree, Bohr, etc.\)\s", +# startReStr = r"\|\sGround-state run starting from atomic densities\s\|\s", +# endReStr = r"\|\sDensity and potential initialised from atomic data\s", sections = ['section_system'], subMatchers = [ SM(r"\s*Unit cell volume\s*:\s*(?P[-0-9.]+)"), -- GitLab