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quantum_package/src/Electrons/EZFIO.cfg

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[elec_alpha_num]
2015-07-02 16:51:56 +02:00
type: Positive_int
doc: Numbers of electrons alpha ("up")
interface: ezfio, provider
[elec_beta_num]
2015-07-02 16:51:56 +02:00
type: Positive_int
doc: Numbers of electrons beta ("down")
interface: ezfio, provider
[elec_num]
2015-07-02 16:51:56 +02:00
type: Positive_int
doc: Numbers total of electrons (alpha + beta)
2015-07-02 18:51:08 +02:00
default: = electrons.elec_alpha_num + electrons.elec_beta_num
interface: ezfio