diff --git a/my_pyscf/mcscf/productstate.py b/my_pyscf/mcscf/productstate.py index 3b0a4c26..01ea3c22 100644 --- a/my_pyscf/mcscf/productstate.py +++ b/my_pyscf/mcscf/productstate.py @@ -11,7 +11,7 @@ # TODO: linkstr support class ProductStateFCISolver (StateAverageNMixFCISolver, lib.StreamObject): - '''Minimize the energy of a wave function of the form + r'''Minimize the energy of a wave function of the form |Psi> = A \prod_K |ci_K> @@ -332,7 +332,7 @@ def state_average_fcisolver (solver, weights=(.5,.5), wfnsym=None): return state_average_mcscf (dummy, weights=weights, wfnsym=wfnsym).fcisolver class ImpureProductStateFCISolver (ProductStateFCISolver): - '''Minimize the energy of an impure state: + r'''Minimize the energy of an impure state: E = \sum_n1 w_n1 \sum_n2 w_n2 \sum_n3 w_n3 ...