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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 70a4d37ecdf5d586703cfc509922311e95d3205c
author muon-spectroscopy-computational-project
date Tue, 18 Jul 2023 13:26:57 +0000
parents 16ef6bc73b17
children
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geo_end.gen
params.yaml
ethyleneMu_opt.phonons.pkl
ethyleneMu_opt.xyz
ethyleneMu_opt_displaced
ethyleneMu_opt_displaced/.collection
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_0
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_0/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_0/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_1
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_1/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_1/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_10
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_10/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_10/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_11
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_11/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_11/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_12
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_12/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_12/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_13
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_13/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_13/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_14
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_14/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_14/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_15
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_15/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_15/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_16
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_16/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_16/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_17
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_17/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_17/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_18
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_18/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_18/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_19
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_19/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_19/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_2
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_2/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_2/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_3
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_3/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_3/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_4
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_4/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_4/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_5
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_5/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_5/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_6
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_6/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_6/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_7
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_7/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_7/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_8
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_8/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_8/dftb_in.hsd
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_9
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_9/geo_end.gen
ethyleneMu_opt_displaced/ethyleneMu_opt_displaced_9/dftb_in.hsd