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Searched refs:int_diff_square (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Doptimize_embedding_potential.F442 ALLOCATE (opt_embed%int_diff_square(diff_size))
3621 int_diff_square, int_diff_square_spin, & local
3627 opt_embed%int_diff_square(1) = pw_integral_ab(diff_rho_r%pw, diff_rho_r%pw)
3631 opt_embed%int_diff_square(2) = pw_integral_ab(diff_rho_spin%pw, diff_rho_spin%pw)
3675 int_diff_square = opt_embed%int_diff_square(1)
3677 IF (opt_embed%open_shell_embed) int_diff_square_spin = opt_embed%int_diff_square(2)
3739 " Integrated squared density difference = ", int_diff_square
H A Dembed_types.F74 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: w_func, max_diff, int_diff, int_diff_square, & component
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Doptimize_embedding_potential.F442 ALLOCATE (opt_embed%int_diff_square(diff_size))
3621 int_diff_square, int_diff_square_spin, & local
3627 opt_embed%int_diff_square(1) = pw_integral_ab(diff_rho_r%pw, diff_rho_r%pw)
3631 opt_embed%int_diff_square(2) = pw_integral_ab(diff_rho_spin%pw, diff_rho_spin%pw)
3675 int_diff_square = opt_embed%int_diff_square(1)
3677 IF (opt_embed%open_shell_embed) int_diff_square_spin = opt_embed%int_diff_square(2)
3739 " Integrated squared density difference = ", int_diff_square
H A Dembed_types.F74 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: w_func, max_diff, int_diff, int_diff_square, & component