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QuantumPackage/src/electrons/EZFIO.cfg

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2019-01-25 11:39:31 +01:00
[elec_alpha_num]
type: Positive_int
doc: Numbers of electrons alpha ("up")
interface: ezfio, provider
[elec_beta_num]
type: Positive_int
doc: Numbers of electrons beta ("down")
interface: ezfio, provider
[elec_num]
type: Positive_int
doc: Numbers total of electrons (alpha + beta)
default: = electrons.elec_alpha_num + electrons.elec_beta_num
interface: ezfio