From cc1ed863f4baad643c9fbfcbb48aeac818875b46 Mon Sep 17 00:00:00 2001 From: Francisco Javier Dominguez Gutierrez Date: Fri, 24 Apr 2020 17:27:37 +0200 Subject: [PATCH] Update DV_creator.py --- sample/input/descriptor_vectors/W/DV_creator.py | 7 ++++++- 1 file changed, 6 insertions(+), 1 deletion(-) diff --git a/sample/input/descriptor_vectors/W/DV_creator.py b/sample/input/descriptor_vectors/W/DV_creator.py index 09e4e7c..e77b6c1 100644 --- a/sample/input/descriptor_vectors/W/DV_creator.py +++ b/sample/input/descriptor_vectors/W/DV_creator.py @@ -72,12 +72,17 @@ for i in range(0,51): #for i in range(0,51): # file_1.write("{0} \n".format(arr[432,i])) -#### bcc DV ################################## +#### vacancy DV ################################## #print('Results are given in: vacancy_vector.dat') #file_1 = open('vacancy_vector.dat','w') #for i in range(0,51): # file_1.write("{0} \n".format(arr[274,i])) +#### typea DV ################################## +print('Results are given in: typea_vector.dat') +file_1 = open('typea_vector.dat','w') +for i in range(0,51): + file_1.write("{0} \n".format(arr[273,i])) -- GitLab