5f285e6aa3
Make documentation of ELECTRODE fixes more complete by listing more warnings and describing options more fully. Use utils::logical for toggle (on/off) options. With the changes in etypes to auto-detect electrode types it makes more sense to make it an on/off toggle as well, so that we don't have inconsistent keyword types.
14 lines
414 B
Plaintext
14 lines
414 B
Plaintext
# electrodes with equal-style ramped (electrode-)constant potential
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# for graphene-ionic liquid supercapacitor
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boundary p p f # slab calculation
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include settings.mod # styles, groups, computes and fixes
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kspace_modify slab 3.0
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variable v equal ramp(2,4)
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fix conp bot electrode/conp 0.0 1.979 couple top v_v symm on etypes on
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thermo 50
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thermo_style custom step temp c_ctemp epair etotal c_qbot c_qtop v_v
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run 500
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