Add periodicity for short range bound correction

dftd3 · Nov 29, 2024 · 82f1919 · 82f1919
1 parent 8ad09ba
commit 82f1919
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Showing 2 changed files with 545 additions and 450 deletions.
diff --git a/src/dftd3/api.f90 b/src/dftd3/api.f90
@@ -842,7 +842,7 @@ function load_gcp_param_api(verror, vmol, cmethod, cbasis) &
    character(len=:, kind=c_char), allocatable :: method
    character(kind=c_char), intent(in) :: cbasis(*)
    character(len=:, kind=c_char), allocatable :: basis
-   type(vp_error), pointer :: gcp
+   type(vp_gcp), pointer :: gcp
    type(c_ptr) :: vgcp
 
    vgcp = c_null_ptr
@@ -959,7 +959,7 @@ subroutine get_counterpoise_api(verror, vmol, vgcp, &
       c_sigma(:3, :3) = sigma
    endif
 
-end subroutine get_dispersion_api
+end subroutine get_counterpoise_api
 
 
 subroutine f_c_character(rhs, lhs, len)