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Add Fortran interfaces in MOs
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@ -256,6 +256,35 @@ bool qmckl_mo_basis_provided(const qmckl_context context) {
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#+end_src
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#+end_src
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*** Fortran interfaces
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#+begin_src f90 :tangle (eval fh_func) :comments org
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interface
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integer(c_int32_t) function qmckl_get_mo_basis_mo_num (context, &
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mo_num) bind(C)
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use, intrinsic :: iso_c_binding
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import
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implicit none
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integer (c_int64_t) , intent(in) , value :: context
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integer (c_int64_t) , intent(out) :: mo_num
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end function qmckl_get_mo_basis_mo_num
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end interface
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interface
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integer(c_int32_t) function qmckl_get_mo_basis_coefficient(context, &
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coefficient, size_max) bind(C)
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use, intrinsic :: iso_c_binding
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import
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implicit none
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integer (c_int64_t) , intent(in) , value :: context
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double precision, intent(out) :: coefficient(*)
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integer (c_int64_t) , intent(int), value :: size_max
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end function qmckl_get_mo_basis_coefficient
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end interface
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#+end_src
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** Initialization functions
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** Initialization functions
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To set the basis set, all the following functions need to be
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To set the basis set, all the following functions need to be
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