diff --git a/ocaml/.gitignore b/ocaml/.gitignore index 235419de..cbd77939 100644 --- a/ocaml/.gitignore +++ b/ocaml/.gitignore @@ -39,10 +39,10 @@ qp_run qp_set_ddci qp_set_mo_class Input_determinants.ml -Input_properties.ml Input_hartree_fock.ml Input_integrals_bielec.ml Input_perturbation.ml +Input_properties.ml Input_pseudo.ml qp_edit.ml qp_edit diff --git a/src/Integrals_Monoelec/pseudopot.f90 b/src/Integrals_Monoelec/pseudopot.f90 index 5ab43969..e05b883b 100644 --- a/src/Integrals_Monoelec/pseudopot.f90 +++ b/src/Integrals_Monoelec/pseudopot.f90 @@ -1755,7 +1755,7 @@ double precision theta,phi,pm,factor,twopi,x,fact,sign DIMENSION PM(0:100,0:100) twopi=2.d0*dacos(-1.d0) x=dcos(theta) -if (iand(m,1)) then +if (iand(m,1) == 1) then sign=-1.d0 else sign=1.d0