ALCHEMY_Module.f90 File Reference

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Data Types
type	ALCHEMY_module::ALCHEMYIntegral

Modules
module	ALCHEMY_module
	ALCHEMY integral module.

Functions/Subroutines
integer function	ALCHEMY_module::count_num_pairs (this)
	?
subroutine	ALCHEMY_module::generate_pairs (this)
	?
subroutine	ALCHEMY_module::generate_pointer_table (this)
subroutine	ALCHEMY_module::generate_orbital_index (this)
subroutine	ALCHEMY_module::generate_pair_index (this)
subroutine	ALCHEMY_module::initialize_ALCHEMY (this, option)
subroutine	ALCHEMY_module::finalize_ALCHEMY (this)
subroutine	ALCHEMY_module::load_integrals_ALCHEMY (this, iounit)
	This is just a copy from scatci_routines with only the relevant ALCHEMY parts. This will be replaced when the prototype is completed with a 'caching' system.
real(wp) function	ALCHEMY_module::get_integral_ALCHEMY (this, i, j, k, l, m)
integer function	ALCHEMY_module::get_one_electron_index (this, i, j, pos)
integer function	ALCHEMY_module::get_two_electron_index (this, i, j, k, l, m)
subroutine	ALCHEMY_module::write_geometries_ALCHEMY (this, iounit)
subroutine	ALCHEMY_module::destroy_integral_ALCHEMY (this)