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.. | ||
tests | ||
ASSUMPTIONS.rst | ||
electrons.ezfio_config | ||
electrons.irp.f | ||
Makefile | ||
NEEDED_MODULES | ||
README.rst |
================ Electrons Module ================ Describes the electrons. For the moment, only the number of alpha and beta electrons are provided by this module. Assumptions =========== .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. * ``elec_num`` >= 0 * ``elec_alpha_num`` >= 0 * ``elec_beta_num`` >= 0 * ``elec_alpha_num`` >= ``elec_beta_num`` Needed Modules ============== .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. * `Ezfio_files <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files>`_ * `Output <http://github.com/LCPQ/quantum_package/tree/master/src/Output>`_ * `Utils <http://github.com/LCPQ/quantum_package/tree/master/src/Utils>`_ Documentation ============= .. Do not edit this section. It was auto-generated from the .. NEEDED_MODULES file. `elec_alpha_num <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L1>`_ Numbers of alpha ("up") , beta ("down") and total electrons `elec_beta_num <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L2>`_ Numbers of alpha ("up") , beta ("down") and total electrons `elec_num <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L3>`_ Numbers of alpha ("up") , beta ("down") and total electrons `elec_num_tab <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons/electrons.irp.f#L4>`_ Numbers of alpha ("up") , beta ("down") and total electrons