Do a Gram-Schmidt orthogonalization for the coefficients given by C according to the metric given by the overlap matrix B%S, i.e. such that < C(:,i) S(:,:) C(:,j) > = delta_i,j B are the basis set parameters
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(basis), | intent(in) | :: | b | |||
| real(kind=long), | intent(inout), | dimension(:, :) | :: | c | ||
| integer, | intent(in), | optional | :: | irrep_mo(:) |