31
31
CalcInfo.twoel_ints = init_array(nbstri * (nbstri + 1) / 2);
33
33
/* now read them in */
34
if (Params.print_lvl > 3)
35
fprintf(outfile, "\n\tOne-electron integrals (frozen core operator):\n");
37
iwl_rdone(Params.oei_file, PSIF_MO_FZC, CalcInfo.onel_ints, nbstri,
38
Params.oei_erase, (Params.print_lvl>3), outfile);
35
if (Params.use_fzc_h) {
36
if (Params.print_lvl > 3)
37
fprintf(outfile, "\n\tOne-electron integrals (frozen core operator):\n");
38
iwl_rdone(Params.oei_file, PSIF_MO_FZC, CalcInfo.onel_ints, nbstri,
39
Params.oei_erase, (Params.print_lvl>3), outfile);
42
if (Params.print_lvl > 3)
43
fprintf(outfile, "\n\tOne-electron integrals (bare):\n");
44
iwl_rdone(Params.oei_file, PSIF_MO_OEI, CalcInfo.onel_ints, nbstri,
45
Params.oei_erase, (Params.print_lvl>3), outfile);
40
48
if (Params.print_lvl > 4)
41
49
fprintf(outfile, "\n\tTwo-electron integrals:\n");
43
51
iwl_rdtwo(Params.tei_file, CalcInfo.twoel_ints, ioff,
44
CalcInfo.nbfso, Params.filter_ints ? CalcInfo.num_fzc_orbs : 0,
52
CalcInfo.nmo, Params.filter_ints ? CalcInfo.num_fzc_orbs : 0,
45
53
Params.filter_ints ? CalcInfo.num_fzv_orbs : 0,
46
54
(Params.print_lvl>4), outfile);