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view test-data/config.yaml @ 1:6f271bc31aa8 draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_yaml_config commit 6a07c4caed5ef35f35198d54ebafd7d1d6d60edb
author | muon-spectroscopy-computational-project |
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date | Thu, 15 Sep 2022 10:26:07 +0000 |
parents | ed74ddbf1e80 |
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poisson_r: 0.8 name: Si charged: true geom_steps: 300 vdw_scale: 0.5 calculator: uep geom_force_tol: 0.05 out_folder: Si-out supercell: 1 k_points_grid: [1,1,1] max_scc_steps: 200 uep_gw_factor: 0.4 uep_chden: test.den_fmt clustering_method: hier clustering_hier_t: 0.2