constructs UHF Fock Matrix
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
type(param), | intent(in) | :: | p | |||
type(basis), | intent(in) | :: | b | |||
type(wf_data), | intent(inout) | :: | f | |||
real(kind=long), | intent(in), | dimension(b%n_basis, b%n_basis) | :: | dmata | ||
real(kind=long), | intent(in), | dimension(b%n_basis, b%n_basis) | :: | dmatb | ||
real(kind=long), | intent(inout), | dimension(b%n_basis, b%n_basis) | :: | focka | ||
real(kind=long), | intent(inout), | dimension(b%n_basis, b%n_basis) | :: | fockb |