Mercurial > repos > muon-spectroscopy-computational-project > pm_nq

diff test-data/geo_end.gen @ 0:16ef6bc73b17 draft

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
author muon-spectroscopy-computational-project
date Fri, 03 Feb 2023 15:39:49 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/geo_end.gen	Fri Feb 03 15:39:49 2023 +0000
@@ -0,0 +1,9 @@
+7  C    
+C    H    
+1      1      0.232775970233676      0.000000000000440      0.697276654023051
+2      1     -0.079133842353857     -0.000000000000096     -0.735385848255959
+3      2     -0.155205312345435      0.888357392443103      1.202027295837828
+4      2     -0.155205312342459     -0.888357392443973      1.202027295838578
+5      2     -0.083036312707434      0.928731657996102     -1.293891861176065
+6      2     -0.083036312705480     -0.928731657997391     -1.293891861176867
+7      2      1.322841122220987      0.000000000001814      0.899318324909431