1ccsd_driver: g_vecs = ga_create_atom_blocked(geom,basis,'Molecular orbital') 2ccsd_driver: ga_create(MT_DBL,lnobj,nvir_correl+1,'objv',lnobj,1,g_objv) 3ccsd_driver: ga_create(MT_DBL,lnof,lnof,'ncoul', nbf,nbf,g_ncoul)) 4ccsd_driver: ga_create(MT_DBL,lnof,lnof,'nexch', nbf,nbf,g_nexch)) 5ccsd_driver: g_coul = ga_create_JKblocked(noper,nbf,nbf,'Coulomb oper') 6ccsd_driver: g_exch = ga_create_JKblocked(noper,nbf,nmo2,'X oper') 7ccsd_driver: g_exch = ga_create_JKblocked(noper,nbf,nbf,'X oper') 8ccsd_driver: ga_create(MT_DBL,1,((nocc_correl*(nocc_correl+1))/2),'epair',1,1,g_epair)) 9ccsd_driver: call moints_build_6x or moints_build_2x 10ccsd_driver: call moints_e2pair 11ccsd_driver: ga_destroy(g_epair) 12ccsd_driver: call ccsd_get_param 13ccsd_driver: call ccsd_sortmo 14ccsd_driver: ga_destroy(g_coul) 15ccsd_driver: ga_destroy(g_exch) 16ccsd_driver: call aoccsd 17ccsd_driver: ga_destroy(g_nexch) 18ccsd_driver: ga_destroy(g_ncoul) 19ccsd_driver: ga_destroy(g_objv) 20ccsd_driver: ga_destroy(g_vecs) 21aoccsd: ga_create(MT_DBL,mxvec*lnoov,nvir+1,'g_t2', mxvec*lnoov,1,g_t2) 22aoccsd: ga_create(MT_DBL,mxvec*lnoov,nvir+1,'g_ht2', mxvec*lnoov,1,g_ht2) 23aoccsd: call ccsd_iterdrv2 24aoccsd: ga_destroy(g_ht2) 25aoccsd: ga_destroy(g_t2) 26aoccsd: ga_create(MT_DBL,lbfo,nocc,'objo',lbfo,1,g_objo) 27aoccsd: call ccsd_rdtrpo 28aoccsd: g_coul = ga_create_JKblocked(noper,nbf,nbf,'Coulomb oper') 29aoccsd: g_exch = ga_create_JKblocked(noper,nbf,nvir,'X oper') 30aoccsd: call moints_trp 31aoccsd: call ccsd_trpdrv 32aoccsd: ga_destroy(g_coul) 33aoccsd: ga_destroy(g_exch) 34aoccsd: ga_destroy(g_objo) 35ccsd_itf: ga_create(MT_DBL,lnov,lnov,'nt2', nvir,nvir,g_nt2) 36ccsd_itf: ga_create(MT_DBL,lnov,lnov,'nht2', nvir,nvir,g_nht2) 37ccsd_itf: call ccsd_pampt3 38ccsd_itf: ga_destroy(g_nht2) 39ccsd_itf: ga_destroy(g_nt2) 40ccsd_pampt3: ga_create(MT_DBL,nbf*nbf,nocc*nocc,'x', nbf*nbf,1,g_x) 41ccsd_pampt3: ga_create(MT_DBL,nbf*nbf,nocc*nocc,'c', nbf*nbf,1,g_c) 42ccsd_pampt3: ga_create(MT_DBL,nocc*nocc,nbf*nbf,'sht2', nocc*nocc,1,g_sht2) 43ccsd_pampt3: ga_create(MT_DBL,nocc*nocc,nbf*nbf,'st2', nocc*nocc,1,g_st2) 44ccsd_pampt3: call ccsd_t2pm 45ccsd_pampt3: call ccsd_sxy 46ccsd_pampt3: ga_destroy(g_st2) 47ccsd_pampt3: call ccsd_ht2pm 48ccsd_pampt3: call ccsd_itm 49ccsd_pampt3: ga_destroy(g_sht2) 50ccsd_pampt3: ga_destroy(g_c) 51ccsd_pampt3: ga_destroy(g_x) 52ccsd_t2pm: ga_create(MT_DBL,nbf*nbf,lnoo,'st2t', nbf*nbf,1,g_st2t) 53ccsd_t2pm: ga_destroy(g_st2t) 54ccsd_ht2pm: ga_create(MT_DBL,nbf*nbf,lnoo,'sht2t', nbf*nbf,1,g_sht2t)) 55ccsd_ht2pm: call ga_transpose 56ccsd_ht2pm: ga_destroy(g_sht2) 57ccsd_ht2pm: ga_create(MT_DBL,nbf*nbf,lnoo,'sht2', nbf*nbf,1,g_sht2) 58ccsd_ht2pm: ga_destroy(g_sht2t) 59ccsd_itm: ga_create(MT_DBL,lnoo,lnoo,'aitm', nocc,nocc,g_aitm) 60ccsd_itm: ga_create(MT_DBL,lnvv,lnoo,'tmt1', lnvv,1,g_tmt1) 61ccsd_itm: ga_create(MT_DBL,lnvv,lnoo,'tmt2', lnvv,1,g_tmt2) 62ccsd_itm: (terms A1-A4, B2-B3, D1-D7, G2, H4, H2, H8, S4-S7) 63ccsd_itm: ga_destroy(g_tmt2) 64ccsd_itm: ga_destroy(g_tmt1) 65ccsd_itm: ga_destroy(g_aitm) 66ccsd_itm: ga_create(MT_DBL,lnov,lnov,'tmt', nvir,nvir,g_tmt) 67ccsd_itm: ga_create(MT_DBL,lnov,lnov,'tmp', nvir,nvir,g_tmp) 68ccsd_itm: ga_create(MT_DBL,lnov,lnov,'tmp2', nvir,nvir,g_tmp2) 69ccsd_itm: (terms D9-D10, J4-J5, K4) 70ccsd_itm: ga_destroy(g_tmp2) 71ccsd_itm: ga_destroy(g_tmp) 72ccsd_itm: ga_destroy(g_tmt) 73moints_trp: ga_create(MT_DBL,nbf,nbf,'tmp',nbf,1,g_tmp) 74moints_trp: ga_destroy(g_tmp) 75