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afm bug fix
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eimrek committed Nov 10, 2020
1 parent 1e29318 commit 17b0a4c
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Showing 2 changed files with 7 additions and 7 deletions.
6 changes: 3 additions & 3 deletions afm/afm_workchain.py
Original file line number Diff line number Diff line change
Expand Up @@ -30,9 +30,9 @@ def define(cls, spec):
spec.input("cp2k_code", valid_type=Code)
spec.input("structure", valid_type=StructureData)
spec.input("cell", valid_type=ArrayData)
spec.input("mgrid_cutoff", valid_type=Int, default=Int(600))
spec.input("wfn_file_path", valid_type=Str, default=Str(""))
spec.input("elpa_switch", valid_type=Bool, default=Bool(True))
spec.input("mgrid_cutoff", valid_type=Int, default=lambda: Int(600))
spec.input("wfn_file_path", valid_type=Str, default=lambda: Str(""))
spec.input("elpa_switch", valid_type=Bool, default=lambda: Bool(True))

spec.input("afm_pp_code", valid_type=Code)
spec.input("afm_pp_params", valid_type=Dict)
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8 changes: 4 additions & 4 deletions afm/submit_afm.ipynb
Original file line number Diff line number Diff line change
Expand Up @@ -24,8 +24,8 @@
"from aiidalab_widgets_base import CodeDropdown, SubmitButtonWidget, StructureBrowserWidget\n",
"from aiidalab_widgets_base import ComputerDropdown\n",
"\n",
"from apps.surfaces.widgets import analyze_structure\n",
"from apps.surfaces.widgets.viewer_details import ViewerDetails\n",
"from apps.scanning_probe import analyze_structure\n",
"from apps.scanning_probe.viewer_details import ViewerDetails\n",
"\n",
"import ase\n",
"import ase.io\n",
Expand Down Expand Up @@ -94,8 +94,8 @@
"\n",
"def on_computer_change(c):\n",
" if computer_drop.selected_computer is not None:\n",
" cp2k_codes = common.comp_plugin_codes(computer_drop.selected_computer.name, 'cp2k')\n",
" afm_codes = common.comp_plugin_codes(computer_drop.selected_computer.name, 'spm.afm')\n",
" cp2k_codes = common.comp_plugin_codes(computer_drop.selected_computer.label, 'cp2k')\n",
" afm_codes = common.comp_plugin_codes(computer_drop.selected_computer.label, 'spm.afm')\n",
"\n",
" # Clear as there seems to be a bug when label remains same,\n",
" # then so does the value\n",
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