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irpjast/jastrow_provider.irp.f
2020-12-15 12:04:34 +01:00

20 lines
590 B
Fortran

BEGIN_PROVIDER [ double precision, jastrow_full ]
implicit none
BEGIN_DOC
! Complete jastrow factor
END_DOC
integer :: i, j
print *, "J_ee = ", factor_ee
print *, "J_en = ", factor_en
print *, "J_een = ", factor_een
print *, "J = J_ee + J_en + J_een = ", factor_ee + factor_en + factor_een
print *, "\nabla_ix J_een", factor_een_deriv_e(1, :)
print *, "\nabla_iy J_een", factor_een_deriv_e(2, :)
print *, "\nabla_iz J_een", factor_een_deriv_e(3, :)
print *, "\nabla_i^2 J_een", factor_een_deriv_e(4, :)
jastrow_full = dexp(factor_ee + factor_en + factor_een)
END_PROVIDER