Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(grid3d), | intent(in) | :: | g | |||
integer, | intent(in) | :: | i |
i-th grid point |
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integer, | intent(in) | :: | j_nuc |
j_nuc-th atom |
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integer, | intent(in), | optional | :: | k_tr |
k-th closest point if periodic |
(x, y, z) of i-th grid point