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

comparison test-data/S i.param @ 2:8e5dbded3070 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_write commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
author muon-spectroscopy-computational-project
date Fri, 03 Feb 2023 15:39:39 +0000
parents
children
comparison
equal deleted inserted replaced
1:150301c057b0 2:8e5dbded3070
1 task : geometryoptimisation
2 opt_strategy : speed
3 num_dump_cycles : 0
4 cutoff_energy : 450 eV
5 elec_energy_tol : 1.0e-9 eV
6 write_cell_structure : true
7 max_scf_cycles : 100
8 xc_functional : pbe
9 geom_max_iter : 100
10 geom_force_tol : 0.05
11 backup_interval : 3600
12 continuation : default
13 write_formatted_density : true