Abstract Interfaces

Abstract InterfaceLocationDescription
calc_energy_interface mqc_method_base

Interface for energy-only calculations

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calc_gradient_interface mqc_method_base

Interface for energy and gradient calculations

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calc_hessian_interface mqc_method_base

Interface for energy, gradient, and Hessian calculations

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run_distributed_sub mqc_many_body_expansion
run_serial_sub mqc_many_body_expansion