From 4d9b97f35a3b82b8471f9781467d577be9968691 Mon Sep 17 00:00:00 2001
From: Aliaksei Mazheika <mazheika@fhi-berlin.mpg.de>
Date: Tue, 6 Sep 2016 12:39:27 +0200
Subject: [PATCH] debugging
---
parser/parser-turbomole/TurbomoleParser.py | 14 ++++----------
1 file changed, 4 insertions(+), 10 deletions(-)
diff --git a/parser/parser-turbomole/TurbomoleParser.py b/parser/parser-turbomole/TurbomoleParser.py
index 2a32221..bae1872 100644
--- a/parser/parser-turbomole/TurbomoleParser.py
+++ b/parser/parser-turbomole/TurbomoleParser.py
@@ -168,6 +168,7 @@ def build_TurbomoleMainFileSimpleMatcher():
sections = ['turbomole_section_eigenvalues_list%s' % addStr],
subMatchers = [
SM (r"\s*(?: irrep)\s*(?P<turbomole_irreducible_representation_state%s>[0-9a\s]+)" % (1 * (addStr,)), repeats = True),
+ #SM (r"\s*(?: irrep)\s*(?P<turbomole_irreducible_representation_state%s>[0-9a\s]+)\s*(?P<turbomole_irreducible_representation_state%s>[0-9a\s]+)\s*(?P<turbomole_irreducible_representation_state%s>[0-9a\s]+)\s*(?P<turbomole_irreducible_representation_state%s>[0-9a\s]+)\s*(?P<turbomole_irreducible_representation_state%s>[0-9a\s]+)" % (addStr, addStr, addStr, addStr, addStr), repeats = True),
SM (r"\s*(?: eigenvalues H)\s*[-+0-9.eEdD\s]+", repeats = True),
SM (r"\s*(?: eV)\s*(?P<turbomole_eigenvalue_eigenvalue%s>[-+0-9.eEdD]+)" % (1 * (addStr,)), repeats = True)#,
# SM (r"\s*(?: occupation)\s*(?P<turbomole_eigenvalue_occupation%s>[0-9.\s]+)" % (1 * (addStr,)), repeats = True)
@@ -347,10 +348,6 @@ def build_TurbomoleMainFileSimpleMatcher():
# now construct the two subMatchers
GWEigenvaluesGroupSubMatcher = build_GWeigenvaluesGroupSubMatcher('_perturbativeGW')
-<<<<<<< HEAD
-
-=======
->>>>>>> b6bb1d2138e93850cc80bc3d95e6d25c208e3b56
########################################
# return main Parser
########################################
@@ -362,7 +359,6 @@ def build_TurbomoleMainFileSimpleMatcher():
sections = ['section_run'],
subMatchers = [
SM (name = 'ProgramHeader',
-<<<<<<< HEAD
startReStr = r"",
subMatchers = [
SM (r"\s*proper\s*\((?P<turbomole_nodename>[a-zA-Z0-9.]+)\) \: TURBOMOLE (?P<turbomole_program_version>[a-zA-Z0-9.]+)"),
@@ -409,13 +405,11 @@ def build_TurbomoleMainFileSimpleMatcher():
SM (r"\s*haga\s*\((?P<turbomole_nodename>[a-zA-Z0-9.]+)\) \: TURBOMOLE (?P<turbomole_program_version>[a-zA-Z0-9.]+)"),
SM (r"\s*intense\s*\((?P<turbomole_nodename>[a-zA-Z0-9.]+)\) \: TURBOMOLE (?P<turbomole_program_version>[a-zA-Z0-9.]+)"),
SM (r"\s*mpgrad\s*\((?P<turbomole_nodename>[a-zA-Z0-9.]+)\) \: TURBOMOLE (?P<turbomole_program_version>[a-zA-Z0-9.]+)")
-=======
# startReStr = r"\s*RUNNING PROGRAM",
- startReStr = r"",
- subMatchers = [
+ #startReStr = r"",
+ #subMatchers = [
# SM (r"\s*TURBOMOLE V(?P<turbomole_program_version>[0-9.]+)")
- SM (r"\s*dscf \((?P<turbomole_nodename>[a-zA-Z0-9]+)\) \: TURBOMOLE V(?P<turbomole_program_version>[0-9.]+)")
->>>>>>> b6bb1d2138e93850cc80bc3d95e6d25c208e3b56
+ #SM (r"\s*dscf \((?P<turbomole_nodename>[a-zA-Z0-9]+)\) \: TURBOMOLE V(?P<turbomole_program_version>[0-9.]+)")
]), # END ProgramHeader
#=============================================================================
# read OUPUT file *.r, the method part comes from INPUT file *.i, so we
--
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