Contracted_Symbolic_Module.f90 File Reference

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Data Types
type	Contracted_Symbolic_module::ContractedSymbolicElementVector
	This class handles the storage symbolic elements. More...

Modules
module	Contracted_Symbolic_module
	Symbolic module.

Functions/Subroutines
integer function	Contracted_Symbolic_module::bstree_compare (this, i, j, data)
	Compare two integral index sets.
subroutine	Contracted_Symbolic_module::check_constructed (this)
	A simple class to check if this has been properly constructed.
subroutine	Contracted_Symbolic_module::construct (this, n1, n2, threshold, initial_size)
	Constructs the class by allocating space for the electron integrals.
logical function	Contracted_Symbolic_module::check_same_integral (this, integral, idx)
	A function to check whether the same integral label exists.
subroutine	Contracted_Symbolic_module::insert_ijklm_symbol (this, i, j, k, l, m, coeffs, check_same_)
	Insert unpacked integral labels.
subroutine	Contracted_Symbolic_module::insert_symbol (this, integral_label, coeffs, check_same_)
	Insert a packed integral symbol into the class.
subroutine	Contracted_Symbolic_module::expand_array (this)
	This is the array expansion subroutine.
subroutine	Contracted_Symbolic_module::add_symbols (this, rhs, alpha)
	Inserts one symbolic vector into another scaled by.
subroutine	Contracted_Symbolic_module::reduce_symbols (this, rhs)
subroutine	Contracted_Symbolic_module::synchronize_symbols (this)
subroutine	Contracted_Symbolic_module::synchronize_symbols_II (this)
logical function	Contracted_Symbolic_module::check_bounds (this, i)
	Simply checks the index and wheter it exists within the array.
subroutine	Contracted_Symbolic_module::remove_symbol_at (this, idx)
	Removes an integral and coefficient, never been used and pretty much useless.
logical function	Contracted_Symbolic_module::is_empty (this)
	Simply returns whether we are storing integrals and coeffs or not.
subroutine	Contracted_Symbolic_module::clear (this)
	Clear our array (not really but it essentialy resets the symbol counter to zero which is way quicker).
subroutine	Contracted_Symbolic_module::modify_coeff (this, idx, coeff)
integer(longint) function, dimension(nidx)	Contracted_Symbolic_module::get_integral_label (this, idx)
	Get integral label at specific index.
real(wp) function	Contracted_Symbolic_module::get_coefficient (this, idx, n1, n2)
	Get coefficient at specific index.
subroutine	Contracted_Symbolic_module::get_coeff_and_integral (this, idx, coeff, label)
	Get both label and coeffcient at specific index.
integer function	Contracted_Symbolic_module::get_size (this)
	Returns the number of symbolic elements stored.
integer function	Contracted_Symbolic_module::get_num_targets_sym1 (this)
integer function	Contracted_Symbolic_module::get_num_targets_sym2 (this)
subroutine	Contracted_Symbolic_module::destroy (this)
	Cleans up the class by deallocating arrays.
subroutine	Contracted_Symbolic_module::print_symbols (this)
	Print currently stored symbols.
logical function	Contracted_Symbolic_module::estimate_synchronize_cost (this)

Variables
class(contractedsymbolicelementvector), pointer	Contracted_Symbolic_module::to_be_synched