Lines Matching refs:ao_loc

38         const int *ao_loc = envs->ao_loc; \
41 const int ioff = ao_loc[shls_slice[0]]; \
42 const int joff = ao_loc[shls_slice[2]]; \
43 const int koff = ao_loc[shls_slice[4]]; \
44 const int loff = ao_loc[shls_slice[6]]; \
73 i0 = ao_loc[ish] - ioff; \
74 j0 = ao_loc[jsh] - joff; \
75 k0 = ao_loc[ksh] - koff; \
76 l0 = ao_loc[lsh] - loff; \
77 i1 = ao_loc[ish+1] - ioff; \
78 j1 = ao_loc[jsh+1] - joff; \
79 k1 = ao_loc[ksh+1] - koff; \
80 l1 = ao_loc[lsh+1] - loff; \
210 static JKArray *allocate_JKArray(JKOperator *op, int *shls_slice, int *ao_loc, int ncomp) in allocate_JKArray() argument
222 jkarray->dm_dims[0] = ao_loc[shls_slice[ibra+1]] - ao_loc[shls_slice[ibra]]; in allocate_JKArray()
223 jkarray->dm_dims[1] = ao_loc[shls_slice[iket+1]] - ao_loc[shls_slice[iket]]; in allocate_JKArray()
224 int v_rows = ao_loc[v_bra_sh1] - ao_loc[v_bra_sh0]; in allocate_JKArray()
225 int v_cols = ao_loc[v_ket_sh1] - ao_loc[v_ket_sh0]; in allocate_JKArray()
250 int *shls_slice, int *ao_loc) in allocate_and_reorder_dm() argument
258 int ioff = ao_loc[ish0]; in allocate_and_reorder_dm()
259 int joff = ao_loc[jsh0]; in allocate_and_reorder_dm()
260 int nrow = ao_loc[ish1] - ioff; in allocate_and_reorder_dm()
261 int ncol = ao_loc[jsh1] - joff; in allocate_and_reorder_dm()
268 i0 = ao_loc[ish ] - ioff; in allocate_and_reorder_dm()
269 i1 = ao_loc[ish+1] - ioff; in allocate_and_reorder_dm()
270 j0 = ao_loc[jsh ] - joff; in allocate_and_reorder_dm()
271 j1 = ao_loc[jsh+1] - joff; in allocate_and_reorder_dm()
281 int *shls_slice, int *ao_loc, int ncomp) in zero_out_vjk() argument
289 int nbra = ao_loc[ish1] - ao_loc[ish0]; in zero_out_vjk()
290 int nket = ao_loc[jsh1] - ao_loc[jsh0]; in zero_out_vjk()
295 int *shls_slice, int *ao_loc) in assemble_v() argument
304 size_t vrow = ao_loc[ish1] - ao_loc[ish0]; in assemble_v()
305 size_t vcol = ao_loc[jsh1] - ao_loc[jsh0]; in assemble_v()
307 int voffset = ao_loc[ish0] * vcol + ao_loc[jsh0]; in assemble_v()
317 di = ao_loc[ish+1] - ao_loc[ish]; in assemble_v()
318 dj = ao_loc[jsh+1] - ao_loc[jsh]; in assemble_v()
320 pv = vjk + ao_loc[ish]*vcol+ao_loc[jsh] - voffset; in assemble_v()
334 int CVHFshls_block_partition(int *block_loc, int *shls_slice, int *ao_loc) in CVHFshls_block_partition() argument
338 int ao_loc_last = ao_loc[ish0]; in CVHFshls_block_partition()
344 if (ao_loc[ish] - ao_loc_last > AO_BLOCK_SIZE) { in CVHFshls_block_partition()
347 ao_loc_last = ao_loc[ish]; in CVHFshls_block_partition()
370 int *shls_slice, int *ao_loc, in CVHFnr_direct_drv() argument
374 IntorEnvs envs = {natm, nbas, atm, bas, env, shls_slice, ao_loc, NULL, in CVHFnr_direct_drv()
379 zero_out_vjk(vjk[idm], jkop[idm], shls_slice, ao_loc, ncomp); in CVHFnr_direct_drv()
381 shls_slice, ao_loc); in CVHFnr_direct_drv()
384 const size_t di = GTOmax_shell_dim(ao_loc, shls_slice, 4); in CVHFnr_direct_drv()
403 const size_t nblock_i = CVHFshls_block_partition(block_iloc, shls_slice+0, ao_loc); in CVHFnr_direct_drv()
404 const size_t nblock_j = CVHFshls_block_partition(block_jloc, shls_slice+2, ao_loc); in CVHFnr_direct_drv()
405 const size_t nblock_k = CVHFshls_block_partition(block_kloc, shls_slice+4, ao_loc); in CVHFnr_direct_drv()
406 const size_t nblock_l = CVHFshls_block_partition(block_lloc, shls_slice+6, ao_loc); in CVHFnr_direct_drv()
415 v_priv[i] = allocate_JKArray(jkop[i], shls_slice, ao_loc, ncomp); in CVHFnr_direct_drv()
434 assemble_v(vjk[i], jkop[i], v_priv[i], shls_slice, ao_loc); in CVHFnr_direct_drv()