Searched refs:int3c2e_ip1 (Results 1 – 4 of 4) sorted by relevance
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/solvent/test/ |
H A D | test_ddcosmo_grad.py | 303 int3c2e_ip1 = mol._add_suffix('int3c2e_ip1') 314 v_e1_nj = df.incore.aux_e2(mol, fakemol, intor=int3c2e_ip1, comp=3, aosym='s1') 433 int3c2e_ip1 = mol._add_suffix('int3c2e_ip1') 442 v_e1_nj = df.incore.aux_e2(mol, fakemol, intor=int3c2e_ip1, comp=3, aosym='s1') 535 int3c2e_ip1 = mol._add_suffix('int3c2e_ip1') 537 cintopt_ip1 = gto.moleintor.make_cintopt(mol._atm, mol._bas, mol._env, int3c2e_ip1) 551 v_e1_nj = df.incore.aux_e2(mol, fakemol, intor=int3c2e_ip1, comp=3,
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/dports/science/py-pyscf/pyscf-2.0.1/pyscf/solvent/ |
H A D | ddcosmo_grad.py | 297 int3c2e_ip1 = mol._add_suffix('int3c2e_ip1') 307 v_e1_nj = df.incore.aux_e2(mol, fakemol, intor=int3c2e_ip1, comp=3, aosym='s1')
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H A D | _ddcosmo_tdscf_grad.py | 1083 int3c2e_ip1 = mol._add_suffix('int3c2e_ip1') 1085 cintopt_ip1 = gto.moleintor.make_cintopt(mol._atm, mol._bas, mol._env, int3c2e_ip1) 1096 v_e1_nj = df.incore.aux_e2(mol, fakemol, intor=int3c2e_ip1, comp=3, 1163 int3c2e_ip1 = mol._add_suffix('int3c2e_ip1') 1165 cintopt_ip1 = gto.moleintor.make_cintopt(mol._atm, mol._bas, mol._env, int3c2e_ip1) 1179 v_e1_nj = df.incore.aux_e2(mol, fakemol, intor=int3c2e_ip1, comp=3,
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/dports/science/libcint/libcint-5.1.0/src/autocode/ |
H A D | int3c2e.c | 96 ALL_CINT(int3c2e_ip1) 97 ALL_CINT_FORTRAN_(int3c2e_ip1) in ALL_CINT_FORTRAN_() argument
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