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ezfio madelung const

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Kevin Gasperich 2023-09-15 15:54:15 -05:00
parent 91a040fa81
commit a25c4f040a
1 changed files with 6 additions and 0 deletions
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6
src/nuclei/EZFIO.cfg
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@ -32,6 +32,12 @@ doc: Nuclear repulsion (Computed automaticaly or Read in the |EZFIO|)
type:double precision
interface: ezfio
[madelung_constant]
doc: Madelung constant
type: double precision
interface: ezfio,provider,ocaml
default: 0
[is_complex]
type: logical
doc: If true, the calculation uses periodic boundary conditions