#include "cp_common_uses.h"
Include dependency graph for s_square_methods.f90:
Go to the source code of this file.
Namespaces | |
| namespace | s_square_methods |
methods related to S**2 (ie. spin) | |
Functions | |
| subroutine, public | s_square_methods::compute_s_square (mos, matrix_s, s_square, s_square_ideal, mo_derivs, strength, error) |
| compute s square of the single determinant defined by the by the spin up and spin down orbitals | |
| subroutine, public | s_square_methods::s2_restraint (mos, matrix_s, mo_derivs, energy, s2_restraint_control, just_energy, error) |
| restrains/constrains the value of s2 in a calculation | |
Variables | |
| CHARACTER(len=*), parameter, private | s_square_methods::moduleN = 's_square_methods' |
