The Gram-Schmidt orthogonalization was not the modified GS scheme but the classical one. The code now contains the classical GS, the modified GS schemes, as well as a classical GS with double reorthogonalization scheme, which is much more robust to numerical errors. The code now also contains a proper reference for the different schemes. A test is added for real and complex cases for each of these schemes.
Implementation of more Gram-Schmidt orthogonalization schemes.
- I have checked that my code follows the Octopus coding standards
- I have added tests for all the new features added in this request.