mirror of https://gitlab.com/scemama/eplf
49 lines
1.1 KiB
Fortran
49 lines
1.1 KiB
Fortran
BEGIN_PROVIDER [ real, point, (3) ]
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implicit none
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BEGIN_DOC
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! Coordinates of the current point
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END_DOC
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point(1) = 0.
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point(2) = 0.
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point(3) = 0.
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END_PROVIDER
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BEGIN_PROVIDER [ real, point_nucl_dist_vec, (nucl_num,3) ]
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implicit none
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BEGIN_DOC
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! Distance vector between the current point and the nuclei
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END_DOC
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integer :: k
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do k=1,nucl_num
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point_nucl_dist_vec(k,1) = point(1)-nucl_coord(k,1)
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point_nucl_dist_vec(k,2) = point(2)-nucl_coord(k,2)
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point_nucl_dist_vec(k,3) = point(3)-nucl_coord(k,3)
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ real, point_nucl_dist_2, (nucl_num) ]
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implicit none
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BEGIN_DOC
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! Square of the distance between the current point and the nuclei
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END_DOC
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integer :: k,l
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do k=1,nucl_num
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point_nucl_dist_2(k) = 0.
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do l=1,3
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point_nucl_dist_2(k) = point_nucl_dist_2(k) + point_nucl_dist_vec(k,l)**2
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enddo
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enddo
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END_PROVIDER
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BEGIN_PROVIDER [ real, point_nucl_dist, (nucl_num) ]
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implicit none
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BEGIN_DOC
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! Distance between the current point and the nuclei
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END_DOC
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integer :: k
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do k=1,nucl_num
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point_nucl_dist(k) = sqrt(point_nucl_dist_2(k))
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enddo
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END_PROVIDER
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