From ea9a8d16c680a5900cfdf4c6358f0427af83d380 Mon Sep 17 00:00:00 2001
From: Fawzi Mohamed <fawzi.mohamed@fhi-berlin.mpg.de>
Date: Sun, 18 Dec 2016 23:43:10 +0100
Subject: [PATCH] fix ref output
---
parser/parser-phonopy/Get_Force_Constants.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/parser/parser-phonopy/Get_Force_Constants.py b/parser/parser-phonopy/Get_Force_Constants.py
index a5b21f1..3c670e1 100644
--- a/parser/parser-phonopy/Get_Force_Constants.py
+++ b/parser/parser-phonopy/Get_Force_Constants.py
@@ -56,8 +56,8 @@ def parse(name):
Parse.addArrayValues("hessian_matrix", FC2)
GP = Get_Properties(FC2, cell, positions, symbols, supercell_matrix, sym, displacement)
GP.prem_emit(Parse, results)
- Parse.closeSection("section_single_configuration_calculation", results)
GP.prep_ref(Whole_Path, Parse)
+ Parse.closeSection("section_single_configuration_calculation", results)
Parse.closeSection("section_run", sRun)
Parse.finishedParsingSession("ParseSuccess", None)
--
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