1c $Id$
2c
3critical path
4--------------------------------------------------------------------------------
5. int_init(num_basis, basis_array)  : generate internal int structures
6. int_terminate()                   : throw away internal int structures
7. int_mem(max1e, maxg, mscratch_1e, mscratch_2e)
8. int_mem_1e(max1e, mscratch_1e)
9. int_mem_h1(max1e, mscratch_1e)
10. int_mem_2e4c(maxg, mscratch_2e)
11... two electron
12...   4 center 2e integrals
13... eri = <bra_g(ish).bra_g(jsh) | ket_g(ksh).ket_g(lsh)>
14. int_2e4c (bra_basis, ish, jsh, ket_basis, ksh, lsh, lscr, scr, leri, eri)
15. int_l2e4c(bra_basis, ish, jsh, ket_basis, ksh, lsh, zerotol,
16             canonicalize, leri, eri, nint, ilab, jlab, klab, llab, lscr, scr)
17
18... one electron integrals
19. int_1eke (i_basis, ish, j_basis, jsh, lscr, scr, lke, Ke)
20. int_1epe (i_basis, ish, j_basis, jsh, lscr, scr, lpe, Pe)
21. int_1eov (i_basis, ish, j_basis, jsh, lscr, scr, lov, Ov)
22. int_1eh1 (i_basis, ish, j_basis, jsh, lscr, scr, lh1, H1)
23. int_1eall(i_basis, ish, j_basis, jsh, lscr, scr, lstv, S, T, V)
24. int_lgen1e (i_basis, ish, j_basis, jsh, zerotol, ilab, jlab, len[S|T|V|H1], [S|T|V|H1], [nums|numt|numv|numh1])
25. int_l1eall (i_basis, ish, j_basis, jsh, zerotol, ilab, jlab, S, T, V, numstv)
26
27next to be done
28--------------------------------------------------------------------------------
29. int_mem_2e3c(max3, mscratch_3_2e)
30. int_mem_2e2c(max2, mscratch_2_2e)
31. int_mem_3ov(max3ov, mscratch_3ov)
32
33
34.   3 center 2e integrals
35... eri = <bra_g(ish)|ket_g(jsh).ket_g(ksh)>
36. int_2e3c (bra_basis, ish, ket_basis, jsh, ksh, lscr, scr, leri, eri)
37. int_l2e3c (bra_basis, ish, ket_basis, jsh, ksh, zerotol, canket,
38              leri, eri, nint, ilab, jlab, klab, lscr, scr)
39
40.   2 center 2e integrals
41... eri = <bra_g(ish)|ket_g(jsh)>
42. int_2e2c (bra_basis, ish, ket_basis, jsh, lscr, scr, leri, eri)
43. int_l2e2c (bra_basis, ish, ket_basis, jsh, zerotol, leri, eri,
44              nint, ilab, jlab, lscr, scr)
45
46
47... one_3c_int = <i_g(ish).j_g(jsh).k_g(ksh)>
48. int_1e3ov(i_basis, ish, j_basis, jsh, k_basis, ksh, lscr,
49                   scr, lov3, OV3)
50. int_l1e3ov(i_basis, ish, j_basis, jsh, k_basis, ksh, zerotol,
51               lov3, OV3, ilab, jlab, klab, numov3, lscr, scr)
52
53
54less critical
55--------------------------------------------------------------------------------
56   int_mpole(i_basis, j_basis, Lvalue, ish, jsh, lscr, scr, MPINTS)
57   int_lmpole(i_basis, j_basis, Lvalue, ish, jsh, MPINTS, ilab, jlab, zerotol)
58
59
60
61lots later
62--------------------------------------------------------------------------------
63   int_set_eri_timing()
64   int_report_eri_timings()
65
66
67   derivative
68   2nd deriv
69   general contraction
70
71