Type | Intent | Optional | Attributes | Name | ||
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integer, | intent(in) | :: | unit |
Unit for output |
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class(damping_param), | intent(in) | :: | param |
Damping parameters |
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character(len=*), | intent(in), | optional | :: | method |
Method name |
subroutine ascii_damping_param(unit, param, method) !> Unit for output integer, intent(in) :: unit !> Damping parameters class(damping_param), intent(in) :: param !> Method name character(len=*), intent(in), optional :: method select type(param) type is (zero_damping_param) write(unit, '(a, ":", 1x)', advance="no") "Zero (Chai-Head-Gordon) damping" if (present(method)) then write(unit, '(a, "-")', advance="no") method end if if (abs(param%s9) > 0) then write(unit, '(a)') "D3(0)-ATM" else write(unit, '(a)') "D3(0)" end if write(unit, '(20("-"))') write(unit, '(a4, t10, f10.4)') & & "s6", param%s6, & & "s8", param%s8, & & "s9", param%s9, & & "rs6", param%rs6, & & "rs8", param%rs8, & & "alp", param%alp write(unit, '(20("-"))') write(unit, '(a)') type is (mzero_damping_param) write(unit, '(a, ":", 1x)', advance="no") "Modified zero damping" if (present(method)) then write(unit, '(a, "-")', advance="no") method end if if (abs(param%s9) > 0) then write(unit, '(a)') "D3(0M)-ATM" else write(unit, '(a)') "D3(0M)" end if write(unit, '(20("-"))') write(unit, '(a5, t10, f10.4)') & & "s6", param%s6, & & "s8", param%s8, & & "s9", param%s9, & & "rs6", param%rs6, & & "rs8", param%rs8, & & "alp", param%alp, & & "beta", param%bet write(unit, '(20("-"))') write(unit, '(a)') type is (optimizedpower_damping_param) write(unit, '(a, ":", 1x)', advance="no") "Optimized power damping" if (present(method)) then write(unit, '(a, "-")', advance="no") method end if if (abs(param%s9) > 0) then write(unit, '(a)') "D3(op)-ATM" else write(unit, '(a)') "D3(op)" end if write(unit, '(20("-"))') write(unit, '(a5, t10, f10.4)') & & "s6", param%s6, & & "s8", param%s8, & & "s9", param%s9, & & "a1", param%a1, & & "a1", param%a2, & & "alp", param%alp, & & "beta", param%bet write(unit, '(20("-"))') write(unit, '(a)') type is (rational_damping_param) write(unit, '(a, ":", 1x)', advance="no") "Rational (Becke-Johnson) damping" if (present(method)) then write(unit, '(a, "-")', advance="no") method end if if (abs(param%s9) > 0) then write(unit, '(a)') "D3(BJ)-ATM" else write(unit, '(a)') "D3(BJ)" end if write(unit, '(21("-"))') write(unit, '(a4, t10, f10.4)') & & "s6", param%s6, & & "s8", param%s8, & & "s9", param%s9, & & "a1", param%a1, & & "a2", param%a2, & & "alp", param%alp write(unit, '(20("-"))') write(unit, '(a)') end select end subroutine ascii_damping_param