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Ezfio configuration for installation

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madgal 2017-06-13 10:59:58 -05:00 committed by GitHub
parent c928d26ffe
commit 1e0f38e5e3
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plugins/FCI_Iteration/EZFIO.cfg Normal file
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[n_iter]
interface: ezfio
doc: Number of iterations needed
type: integer
[n_det]
interface: ezfio
doc: number of determinants at iteration
type: integer
size: (fci_iterations.n_iter)
[energy]
interface: ezfio
doc: The energy without a pt2 correction for n_det
type: real
size: (fci_iterations.n_iter)
[pt2]
interface: ezfio
doc: The pt2 correction for n_det
type: real
size: (fci_iterations.n_iter)
[energy_pt2]
interface: ezfio
doc: The energy with pt2 correction for n_det
type: real
size: (fci_iterations.n_iter)