20 #include "integrals.h"
23 void RHF(
const std::vector<bf_t> & basis,
int Z,
rscf_t & sol,
const convergence_t conv,
bool direct=
false,
bool verbose=
true);
24 void UHF(
const std::vector<bf_t> & basis,
int Z,
uscf_t & sol,
const convergence_t conv,
bool direct=
false,
bool ROHF=
false,
bool verbose=
true);
Convergence criteria.
Definition: scf.h:49
Unrestricted solver info.
Definition: scf.h:139
Restricted solver info.
Definition: scf.h:110