From f2b7f39ca62438d25a21cdbaf267269fbc4f62ac Mon Sep 17 00:00:00 2001
From: temok-mx <temok.mx@gmail.com>
Date: Tue, 18 Feb 2020 20:54:44 +0100
Subject: [PATCH] nomad-lab/nomad-FAIR#282. basis-set rename: GTOs -> gaussians
---
parser/parser-turbomole/TurbomoleParser.py | 2 +-
turbomoleparser/TurbomoleParser.py | 2 +-
2 files changed, 2 insertions(+), 2 deletions(-)
diff --git a/parser/parser-turbomole/TurbomoleParser.py b/parser/parser-turbomole/TurbomoleParser.py
index 4024026..09383bf 100644
--- a/parser/parser-turbomole/TurbomoleParser.py
+++ b/parser/parser-turbomole/TurbomoleParser.py
@@ -368,7 +368,7 @@ def build_root_parser(context):
subFlags=SM.SubFlags.Unordered,
fixedStartValues={
'program_name': 'turbomole',
- 'program_basis_set_type': 'GTOs'
+ 'program_basis_set_type': 'gaussians'
},
subMatchers=[
mpi_slaves,
diff --git a/turbomoleparser/TurbomoleParser.py b/turbomoleparser/TurbomoleParser.py
index 4595315..a5a67f3 100644
--- a/turbomoleparser/TurbomoleParser.py
+++ b/turbomoleparser/TurbomoleParser.py
@@ -369,7 +369,7 @@ def build_root_parser(context):
subFlags=SM.SubFlags.Unordered,
fixedStartValues={
'program_name': 'turbomole',
- 'program_basis_set_type': 'GTOs'
+ 'program_basis_set_type': 'gaussians'
},
subMatchers=[
mpi_slaves,
--
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