Lines Matching refs:g_fock
75 integer g_dens(4), g_fock(4), nfock, nmo, nbf, gtype
96 g_fock(1)=ga_create_atom_blocked(geom,basis,'mp2_grad:fa')
97 g_fock(2)=ga_create_atom_blocked(geom,basis,'mp2_grad:fb')
98 g_fock(3)=ga_create_atom_blocked(geom,basis,'mp2_grad:fb')
99 g_fock(4)=ga_create_atom_blocked(geom,basis,'mp2_grad:fb')
102 call ga_zero(g_fock(i))
141 $ tol2e, oskel, g_dens, g_fock,.false. )
147 call ga_dadd(one, g_fock(1), one, g_fock(4), g_fock(1))
148 call ga_dadd(one, g_fock(3), one, g_fock(2), g_fock(3))
149 call ga_symmetrize(g_fock(1))
150 call ga_symmetrize(g_fock(3))
158 $ g_fock(1), 1, nbf, 1, nbf,
168 $ g_fock(3), 1, nbf, 1, nbf,
180 if (.not. ga_destroy(g_fock(1))) call errquit('mp2_lfu: ga?',0,
182 if (.not. ga_destroy(g_fock(2))) call errquit('mp2_lfu: ga?',0,
184 if (.not. ga_destroy(g_fock(3))) call errquit('mp2_lfu: ga?',0,
186 if (.not. ga_destroy(g_fock(4))) call errquit('mp2_lfu: ga?',0,
210 integer g_dens(4), g_fock(4), nfock, nmo, nbf, gtype
230 g_fock(1)=ga_create_atom_blocked(geom,basis,'mp2_grad:fa')
231 g_fock(2)=ga_create_atom_blocked(geom,basis,'mp2_grad:fb')
232 g_fock(3)=ga_create_atom_blocked(geom,basis,'mp2_grad:fb')
233 g_fock(4)=ga_create_atom_blocked(geom,basis,'mp2_grad:fb')
236 call ga_zero(g_fock(i))
273 $ tol2e, oskel, g_dens, g_fock, .false.)
279 call ga_dadd(one, g_fock(1), one, g_fock(4), g_fock(1))
280 call ga_dadd(one, g_fock(3), one, g_fock(2), g_fock(3))
281 call ga_symmetrize(g_fock(1))
282 call ga_symmetrize(g_fock(3))
289 $ g_fock(1), 1, nbf, 1, nbf,
298 $ g_fock(3), 1, nbf, 1, nbf,
310 if (.not. ga_destroy(g_fock(1))) call errquit('mp2_lfu: ga?',0,
312 if (.not. ga_destroy(g_fock(2))) call errquit('mp2_lfu: ga?',0,
314 if (.not. ga_destroy(g_fock(3))) call errquit('mp2_lfu: ga?',0,
316 if (.not. ga_destroy(g_fock(4))) call errquit('mp2_lfu: ga?',0,