constructs Gaussian basis set
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(atom_set), | intent(in) | :: | a(:) | |||
| real(kind=long), | intent(inout), | allocatable | :: | env(:) | ||
| integer, | intent(inout), | allocatable | :: | atm(:,:) | ||
| integer, | intent(inout), | allocatable | :: | bas(:,:) | ||
| character(len=*), | intent(in) | :: | filename | |||
| character(len=*), | intent(in), | optional | :: | filename2 | ||
| integer, | intent(out), | optional, | allocatable | :: | shellinset(:) |