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Return the index of the
neighbour of atom . Together with the
previous function, this facilites a loop over the neighbours of atom . Optionally, we
return other geometric information, such as distance, direction cosines and difference vector,
and also an direct index into the neighbour tables. If , this is an index into neighbour1(i),
if , it is an index into neighbour1(j)
if distance > max_dist, return 0, and do not waste time calculating other quantities
- this -- type(Atoms), intent(in), target
-
- i, n -- integer
-
- distance -- real(dp), optional, intent(out)
-
- diff -- real(dp), dimension(3), optional, intent(out)
-
- cosines -- real(dp), optional, intent(out), dimension(3)
-
- shift -- integer, optional, intent(out), dimension(3)
-
- index -- integer, optional, intent(out)
-
- max_dist -- real(dp), optional, intent(in)
-
- jn -- integer, optional, intent(out)
-
- alt_connect -- type(Connection), optional, intent(in), target
-
- Return value --
integer
-
diff function
Next: Function diff
Up: Module atoms_module
Previous: Function atoms_n_neighbours
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gabor
2009-06-30