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

diff test-data/clustout-dftb.dat @ 0:49b6d76139da draft

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
author muon-spectroscopy-computational-project
date Thu, 25 Aug 2022 16:18:39 +0000
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/clustout-dftb.dat	Thu Aug 25 16:18:39 2022 +0000
@@ -0,0 +1,3 @@
+1	27	-280.6035855579993	-280.60202336915836	0.0014309752898857598	3.3226068	0.7423389456	3.311549515
+2	3	-284.5412648607569	-284.54031723784425	0.0008843908674425659	2.349332209	2.364682032	2.966647288
+3	14	-282.62616915666706	-282.62574079969306	0.00029348507875924686	2.648214456	2.64892216	2.79616573