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GBTOlib: library for evaluation of molecular integrals in mixed Gaussian / B-spline basis
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Functions/Subroutines | |
| subroutine, public | sort_float (n, d2, arr) |
| todo OpenMP parallelize the routines below More... | |
| subroutine, public | heap_sort_int_float (n, d2, arr, brr) |
| Heap-sorts the first n elements of the array arr and simultaneously the array brr. Array arr(:,d2) is the list of integers and the array brr(:,d2) is the list of floats. More... | |
| subroutine, public | sort_int_float (n, d2, arr, brr) |
| Sorts the first n elements of the array arr and simultaneously the array brr. Array arr(:,d2) is the list of integers and the array brr(:,d2) is the list of floats. More... | |
| subroutine, public | sort_float_int (n, d2, arr, brr) |
| Sorts the first n elements of the array arr and simultaneously the array brr. Array arr(:,d2) is the list of floats and the array brr(:,d2) is the list of integers. More... | |
| subroutine, public | sort_int_int (n, d2, arr, brr) |
| Sorts the first n elements of the array arr and simultaneously the array brr. Array arr(:,d2) is the list of integers and the array brr(:,d2) is the list of integers. More... | |
| subroutine, public sort_gbl::heap_sort_int_float | ( | integer | n, |
| integer | d2, | ||
| integer, dimension(:,:), intent(inout) | arr, | ||
| real(kind=cfp), dimension(:,:), intent(inout) | brr | ||
| ) |
Heap-sorts the first n elements of the array arr and simultaneously the array brr. Array arr(:,d2) is the list of integers and the array brr(:,d2) is the list of floats.
| subroutine, public sort_gbl::sort_float | ( | integer | n, |
| integer | d2, | ||
| real(kind=cfp), dimension(:,:), intent(inout) | arr | ||
| ) |
todo OpenMP parallelize the routines below
Sorts the first n elements of the floating point array arr(:,d2).
| subroutine, public sort_gbl::sort_float_int | ( | integer | n, |
| integer | d2, | ||
| real(kind=cfp), dimension(:,:), intent(inout) | arr, | ||
| integer, dimension(:,:), intent(inout) | brr | ||
| ) |
Sorts the first n elements of the array arr and simultaneously the array brr. Array arr(:,d2) is the list of floats and the array brr(:,d2) is the list of integers.
| subroutine, public sort_gbl::sort_int_float | ( | integer | n, |
| integer | d2, | ||
| integer, dimension(:,:), intent(inout) | arr, | ||
| real(kind=cfp), dimension(:,:), intent(inout) | brr | ||
| ) |
Sorts the first n elements of the array arr and simultaneously the array brr. Array arr(:,d2) is the list of integers and the array brr(:,d2) is the list of floats.
| subroutine, public sort_gbl::sort_int_int | ( | integer | n, |
| integer | d2, | ||
| integer, dimension(:,:), intent(inout) | arr, | ||
| integer, dimension(:,:), intent(inout) | brr | ||
| ) |
Sorts the first n elements of the array arr and simultaneously the array brr. Array arr(:,d2) is the list of integers and the array brr(:,d2) is the list of integers.