From 49ab41cd5390cd098d89cc871a7c2735eb6cacf0 Mon Sep 17 00:00:00 2001 From: gac-x04sa Date: Thu, 23 Aug 2018 15:49:42 +0200 Subject: [PATCH] Script execution --- script/test/TestFourcvCompact.py | 18 ------------------ 1 file changed, 18 deletions(-) diff --git a/script/test/TestFourcvCompact.py b/script/test/TestFourcvCompact.py index 4bdf13d..8774abd 100644 --- a/script/test/TestFourcvCompact.py +++ b/script/test/TestFourcvCompact.py @@ -24,28 +24,10 @@ ub.listub() # Create a new ub calculation and set lattice parameters ub.newub('test') -""" -ub.setlat('cubic', 11.058, 5.8361, 5.114, 90, 90, 90) - -en = 1.5498 -#en=8 -#ub.c2th([0, 0, 4], en) -ub.addref([0, 0, 4], [16.2785, 0.0, 32.5568, 0.0], en) - -#ub.c2th([2, 0, 12], en) -ub.addref([2, 0, 12], [71.8285, 37.3082, 138.7440, 0.0], en) - -#ub.c2th([1, -4, 10], en) -ub.addref([1, -4, 10], [27.7185, 17.6408 , 128.4220, 0.0], en) -ub.ub() -#ub.setub([[1.22862 ,0.00000,0.00000], [-0.00000,1.07663,0.00000], [-0.00000,-0.00000,0.56820]]) -""" - ub.setlat('cubic', 5.114, 5.8361, 11.058, 90, 90, 90) en = 1.5498 -#en=8 #ub.c2th([0, 0, 4], en) ub.addref([0, 0, 4], [16.2785, 0.0, 32.5568, 0.0], en)