Home
last modified time | relevance | path

Searched refs:TRANS_T (Results 1 – 17 of 17) sorted by relevance

/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/agf2/
H A Duagf2.c62 const char TRANS_T = 'T'; in AGF2uee_vv_vev_islice() local
104 dgemm_(&TRANS_T, &TRANS_N, &nmo, &nmo, &nja, &D1, xia, &nja, xja, &nja, &D1, vv_priv, &nmo); in AGF2uee_vv_vev_islice()
107 …dgemm_(&TRANS_T, &TRANS_N, &nmo, &nmo, &nJA, &os_factor, xJA, &nJA, xJA, &nJA, &D1, vv_priv, &nmo); in AGF2uee_vv_vev_islice()
116 … dgemm_(&TRANS_T, &TRANS_N, &nmo, &nmo, &nja, &D1, xia, &nja, xja, &nja, &D1, vev_priv, &nmo); in AGF2uee_vv_vev_islice()
169 const char TRANS_T = 'T'; in AGF2udf_vv_vev_islice() local
201 dgemm_(&TRANS_N, &TRANS_T, &nja, &nmo, &naux, &D1, qja, &nja, qx, &nmo, &D0, xja, &nja); in AGF2udf_vv_vev_islice()
204 dgemm_(&TRANS_N, &TRANS_T, &nJA, &nmo, &naux, &D1, qJA, &nJA, qx, &nmo, &D0, xJA, &nJA); in AGF2udf_vv_vev_islice()
207 dgemm_(&TRANS_N, &TRANS_T, &nva, &nxi, &naux, &D1, qa, &nva, qxi, &nxi, &D0, xia, &nva); in AGF2udf_vv_vev_islice()
219 dgemm_(&TRANS_T, &TRANS_N, &nmo, &nmo, &nja, &D1, xia, &nja, xja, &nja, &D1, vv_priv, &nmo); in AGF2udf_vv_vev_islice()
231 … dgemm_(&TRANS_T, &TRANS_N, &nmo, &nmo, &nja, &D1, xia, &nja, xja, &nja, &D1, vev_priv, &nmo); in AGF2udf_vv_vev_islice()
[all …]
H A Dragf2.c205 const char TRANS_T = 'T'; in AGF2ee_vv_vev_islice() local
239 dgemm_(&TRANS_T, &TRANS_N, &nmo, &nmo, &nja, &D1, xia, &nja, xja, &nja, &D1, vv_priv, &nmo); in AGF2ee_vv_vev_islice()
245 … dgemm_(&TRANS_T, &TRANS_N, &nmo, &nmo, &nja, &D1, xia, &nja, xja, &nja, &D1, vev_priv, &nmo); in AGF2ee_vv_vev_islice()
287 const char TRANS_T = 'T'; in AGF2df_vv_vev_islice() local
317 dgemm_(&TRANS_N, &TRANS_T, &nja, &nmo, &naux, &D1, qja, &nja, qx, &nmo, &D0, xja, &nja); in AGF2df_vv_vev_islice()
320 dgemm_(&TRANS_N, &TRANS_T, &nvir, &nxi, &naux, &D1, qa, &nvir, qxi, &nxi, &D0, xia, &nvir); in AGF2df_vv_vev_islice()
330 dgemm_(&TRANS_T, &TRANS_N, &nmo, &nmo, &nja, &D1, xia, &nja, xja, &nja, &D1, vv_priv, &nmo); in AGF2df_vv_vev_islice()
336 … dgemm_(&TRANS_T, &TRANS_N, &nmo, &nmo, &nja, &D1, xia, &nja, xja, &nja, &D1, vev_priv, &nmo); in AGF2df_vv_vev_islice()
378 const char TRANS_T = 'T'; in AGF2df_vv_vev_islice_lowmem() local
470 … dgemm_(&TRANS_N, &TRANS_T, &nvir, &nmo, &naux, &D1, qa_i, &nvir, qx_j, &nmo, &D0, xa_i, &nvir); in AGF2df_vv_vev_islice_lowmem()
[all …]
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/mcscf/
H A Dnevpt_contract.c42 const char TRANS_T = 'T'; in tril2pdm_particle_symm() local
47 dgemm_(&TRANS_N, &TRANS_T, &nnorb, &nncre, &bcount, in tril2pdm_particle_symm()
57 const char TRANS_T = 'T'; in NEVPTkern_dfec_dfae() local
80 dgemm_(&TRANS_N, &TRANS_T, &norb, &norb, &n3, in NEVPTkern_dfec_dfae()
93 const char TRANS_T = 'T'; in NEVPTkern_aedf_ecdf() local
116 dgemm_(&TRANS_T, &TRANS_N, &norb, &norb, &n3, in NEVPTkern_aedf_ecdf()
129 const char TRANS_T = 'T'; in NEVPTkern_cedf_aedf() local
142 dgemm_(&TRANS_T, &TRANS_N, &norb, &blen, &n3, in NEVPTkern_cedf_aedf()
154 const char TRANS_T = 'T'; in NEVPTkern_dfea_dfec() local
224 const char TRANS_T = 'T'; in NEVPTkern_sf() local
[all …]
H A Dfci_rdm.c149 const char TRANS_T = 'T'; in tril_particle_symm() local
168 dgemm_(&TRANS_N, &TRANS_T, &blk, &n, &bcount, in tril_particle_symm()
173 dgemm_(&TRANS_N, &TRANS_T, &n, &n, &bcount, in tril_particle_symm()
301 const char TRANS_T = 'T'; in FCIrdm12kern_sf() local
344 const char TRANS_T = 'T'; in FCIrdm12kern_spin0() local
404 const char TRANS_T = 'T'; in FCItdm12kern_sf() local
449 const char TRANS_T = 'T'; in FCIrdm12kern_a() local
487 const char TRANS_T = 'T'; in FCIrdm12kern_b() local
522 const char TRANS_T = 'T'; in FCItdm12kern_a() local
557 const char TRANS_T = 'T'; in FCItdm12kern_b() local
[all …]
H A Dfci_4pdm.c145 const char TRANS_T = 'T'; in tril3pdm_particle_symm() local
161 dgemm_(&TRANS_N, &TRANS_T, &i, &blk, &bcount, in tril3pdm_particle_symm()
169 dgemm_(&TRANS_N, &TRANS_T, &i, &blk1, &bcount, in tril3pdm_particle_symm()
182 const char TRANS_T = 'T'; in tril2pdm_particle_symm() local
194 dgemm_(&TRANS_N, &TRANS_T, &n, &blk, &bcount, in tril2pdm_particle_symm()
199 dgemm_(&TRANS_N, &TRANS_T, &nncre, &n, &bcount, in tril2pdm_particle_symm()
210 const char TRANS_T = 'T'; in make_rdm12_sf() local
228 dgemm_(&TRANS_N, &TRANS_T, &nnorb, &nnorb, &bcount, in make_rdm12_sf()
244 const char TRANS_T = 'T'; in make_rdm12_spin0() local
268 dgemm_(&TRANS_N, &TRANS_T, &nnorb, &nnorb, &bcount, in make_rdm12_spin0()
H A Dselect_ci.c478 const char TRANS_T = 'T';
486 dgemm_(&TRANS_T, &TRANS_N, &nnorb, &nnorb, &bcount,
H A Dfci_contract.c459 const char TRANS_T = 'T'; in ctr_uhf2e_kern() local
478 dgemm_(&TRANS_N, &TRANS_T, &bcount, &nnorb, &nnorb, in ctr_uhf2e_kern()
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/dft/
H A Dnr_numint.c68 const char TRANS_T = 'T'; in dot_ao_dm() local
81 dgemm_(&TRANS_N, &TRANS_T, &bgrids, &nocc, &blen, in dot_ao_dm()
95 dgemm_(&TRANS_N, &TRANS_T, &bgrids, &nocc, &nao, in dot_ao_dm()
132 const char TRANS_T = 'T'; in dot_ao_ao() local
151 dgemm_(&TRANS_T, &TRANS_N, &lenj, &leni, &bgrids, &D1, in dot_ao_ao()
157 dgemm_(&TRANS_T, &TRANS_N, &nao, &nao, &bgrids, in dot_ao_ao()
H A Dr_numint.c41 const char TRANS_T = 'T'; in dot_ao_dm() local
53 zgemm_(&TRANS_N, &TRANS_T, &bgrids, &nocc, &blen, in dot_ao_dm()
67 zgemm_(&TRANS_N, &TRANS_T, &bgrids, &nocc, &nao, in dot_ao_dm()
H A Dnumint_uniform_grid.c1173 const char TRANS_T = 'T'; in _nonorth_ints() local
1321 dgemm_(&TRANS_T, &TRANS_N, &l1, &l1, &ngridz, in _nonorth_ints()
1745 const char TRANS_T = 'T'; in _orth_rho() local
1808 dgemm_(&TRANS_N, &TRANS_T, &xcols, &ngridx, &l1, in _orth_rho()
1813 dgemm_(&TRANS_N, &TRANS_T, &xcols, &ngridx, &l1, in _orth_rho()
1817 dgemm_(&TRANS_N, &TRANS_T, &xcols, &ngridx, &l1, in _orth_rho()
1821 dgemm_(&TRANS_N, &TRANS_T, &xcols, submesh, &l1, in _orth_rho()
2178 const char TRANS_T = 'T'; in _nonorth_rho() local
2251 dgemm_(&TRANS_N, &TRANS_T, &ngridz, &ngridy, &l1, in _nonorth_rho()
2293 dgemm_(&TRANS_N, &TRANS_T, &ngridz, &inc1, &l1, in _nonorth_rho()
[all …]
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/cc/
H A Duccsd_t.c86 const char TRANS_T = 'T'; in get_wv() local
97 dgemm_(&TRANS_N, &TRANS_T, &nocc, &noo, &nocc, in get_wv()
353 const char TRANS_T = 'T'; in get_wv_baa() local
380 dgemm_(&TRANS_T, &TRANS_T, &nocca, &nOo, &nvira, in get_wv_baa()
383 dgemm_(&TRANS_T, &TRANS_T, &nocca, &nOo, &nvirb, in get_wv_baa()
389 dgemm_(&TRANS_T, &TRANS_T, &nocca, &nOo, &noccb, in get_wv_baa()
600 const char TRANS_T = 'T'; in zget_wv() local
749 const char TRANS_T = 'T'; in zget_wv_baa() local
762 zgemm_(&TRANS_T, &TRANS_T, &nocca, &nOo, &nvira, in zget_wv_baa()
765 zgemm_(&TRANS_T, &TRANS_T, &nocca, &nOo, &nvirb, in zget_wv_baa()
[all …]
H A Dccsd_grad.c40 const char TRANS_T = 'T'; in CCmmm_transpose_sum() local
51 dgemm_(&TRANS_N, &TRANS_T, &j_count, &nao, &i_count, in CCmmm_transpose_sum()
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/ao2mo/
H A Dnr_ao2mo.c114 const char TRANS_T = 'T'; in AO2MOdtriumm_o1() local
120 dgemm_(&TRANS_T, &TRANS_N, &mstart, &n, &k, in AO2MOdtriumm_o1()
146 const char TRANS_T = 'T'; in AO2MOdtriumm_o2() local
158 dgemm_(&TRANS_T, &TRANS_N, &m, &nleft, &k, in AO2MOdtriumm_o2()
179 const char TRANS_T = 'T'; in AO2MOmmm_nr_s1_iltj() local
211 const char TRANS_T = 'T'; in AO2MOmmm_nr_s1_igtj() local
221 dgemm_(&TRANS_T, &TRANS_N, &j_count, &nao, &nao, in AO2MOmmm_nr_s1_igtj()
290 const char TRANS_T = 'T'; in AO2MOmmm_nr_s2_iltj() local
326 const char TRANS_T = 'T'; in AO2MOmmm_nr_s2_igtj() local
382 const char TRANS_T = 'T'; in AO2MOmmm_ket_nr_s1() local
[all …]
H A Dr_ao2mo.c53 const char TRANS_T = 'T'; in AO2MOmmm_r_iltj() local
113 dgemm_(&TRANS_T, &TRANS_N, &j_count, &i_count, &n2c, in AO2MOmmm_r_iltj()
115 dgemm_(&TRANS_T, &TRANS_N, &j_count, &i_count, &n2c, in AO2MOmmm_r_iltj()
117 dgemm_(&TRANS_T, &TRANS_N, &j_count, &i_count, &n2c, in AO2MOmmm_r_iltj()
147 const char TRANS_T = 'T'; in AO2MOmmm_r_igtj() local
180 dgemm_(&TRANS_T, &TRANS_N, &j_count, &n2c, &n2c, in AO2MOmmm_r_igtj()
182 dgemm_(&TRANS_T, &TRANS_N, &j_count, &n2c, &n2c, in AO2MOmmm_r_igtj()
184 dgemm_(&TRANS_T, &TRANS_N, &j_count, &n2c, &n2c, in AO2MOmmm_r_igtj()
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/ri/
H A Dr_df_incore.c73 const char TRANS_T = 'T'; in RIhalfmmm_r_s1_ket() local
80 zgemm_(&TRANS_T, &TRANS_N, &j_count, &n2c, &n2c, in RIhalfmmm_r_s1_ket()
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/pbc/
H A Dgrid_ao.c190 const char TRANS_T = 'T'; in PBCeval_cart_iter() local
272 dgemm_(&TRANS_N, &TRANS_T, &dimc, &nkpts2, &count, in PBCeval_cart_iter()
296 const char TRANS_T = 'T'; in PBCeval_sph_iter() local
390 dgemm_(&TRANS_N, &TRANS_T, &dimc, &nkpts2, &count, in PBCeval_sph_iter()
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/lib/gto/
H A Dnr_ecp.c5401 const char TRANS_T = 'T'; in ECPtype2_cart() local
5552 dgemm_(&TRANS_T, &TRANS_N, &nfi, &nfj, &mq, in ECPtype2_cart()
5594 const char TRANS_T = 'T'; in ECPtype_so_cart() local
5771 dgemm_(&TRANS_T, &TRANS_N, &nfi, &nfj, &mq, in ECPtype_so_cart()
5774 dgemm_(&TRANS_T, &TRANS_N, &nfi, &nfj, &mq, in ECPtype_so_cart()
5777 dgemm_(&TRANS_T, &TRANS_N, &nfi, &nfj, &mq, in ECPtype_so_cart()