Searched refs:orb5 (Results 1 – 5 of 5) sorted by relevance
/dports/science/chemps2/CheMPS2-1.8.10/tests/ |
H A D | test10.cpp.in | 108 for (int orb5=0; orb5<L; orb5++){ local 110 … const double difference = RDMspace[orb1 + L*(orb2 + L*(orb3 + L*(orb4 + L*(orb5 + L * orb6))))] 111 … - theDMRG->get3DM()->get_ham_index(orb1, orb2, orb3, orb4, orb5, orb6); 125 for (int orb5=0; orb5<L; orb5++){ local 127 …onst double difference = fci_diag_4rdm[orb1 + L*(orb2 + L*(orb3 + L*(orb4 + L*(orb5 + L * orb6))))] 128 … - 0.5 * dmrg_diag_4rdm[orb1 + L*(orb2 + L*(orb3 + L*(orb4 + L*(orb5 + L * orb6))))];
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H A D | test11.cpp.in | 118 for (int orb5=0; orb5<L; orb5++){ local 120 … const double difference = RDMspace[orb1 + L*(orb2 + L*(orb3 + L*(orb4 + L*(orb5 + L * orb6))))] 121 … - theDMRG->get3DM()->get_ham_index(orb1, orb2, orb3, orb4, orb5, orb6); 135 for (int orb5=0; orb5<L; orb5++){ local 137 …onst double difference = fci_diag_4rdm[orb1 + L*(orb2 + L*(orb3 + L*(orb4 + L*(orb5 + L * orb6))))] 138 … - 0.5 * dmrg_diag_4rdm[orb1 + L*(orb2 + L*(orb3 + L*(orb4 + L*(orb5 + L * orb6))))];
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/dports/science/chemps2/CheMPS2-1.8.10/integrals/pyscf/ |
H A D | debug_4rdm.py | 133 for orb5 in range(L): 137 …temp = FourRDM[ orb1, orb2, orb3, orb4, orb5, orb6, orb7, orb8 ] - pyscf_dm4[ orb1, orb2, orb3, or… 139 …print "4-RDM[",orb1,",",orb2,",",orb3,",",orb4,",",orb5,",",orb6,",",orb7,",",orb8,"] diff =", temp
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/dports/science/chemps2/CheMPS2-1.8.10/CheMPS2/ |
H A D | ThreeDM.cpp | 112 const int orb5 = (( prob->gReorder() ) ? prob->gf2( cnt5 ) : cnt5 ); in set_dmrg_index() local 127 temp_disk_orbs[ 6 * private_counter + 4 ] = orb5; in set_dmrg_index() 133 elements[ orb1 + L * ( orb2 + L * ( orb3 + L * ( orb4 + L * ( orb5 + L * orb6 )))) ] = value; in set_dmrg_index() 134 elements[ orb2 + L * ( orb3 + L * ( orb1 + L * ( orb5 + L * ( orb6 + L * orb4 )))) ] = value; in set_dmrg_index() 135 elements[ orb3 + L * ( orb1 + L * ( orb2 + L * ( orb6 + L * ( orb4 + L * orb5 )))) ] = value; in set_dmrg_index() 136 elements[ orb2 + L * ( orb1 + L * ( orb3 + L * ( orb5 + L * ( orb4 + L * orb6 )))) ] = value; in set_dmrg_index() 137 elements[ orb3 + L * ( orb2 + L * ( orb1 + L * ( orb6 + L * ( orb5 + L * orb4 )))) ] = value; in set_dmrg_index() 138 elements[ orb1 + L * ( orb3 + L * ( orb2 + L * ( orb4 + L * ( orb6 + L * orb5 )))) ] = value; in set_dmrg_index() 140 elements[ orb4 + L * ( orb5 + L * ( orb6 + L * ( orb1 + L * ( orb2 + L * orb3 )))) ] = value; in set_dmrg_index() 141 elements[ orb5 + L * ( orb6 + L * ( orb4 + L * ( orb2 + L * ( orb3 + L * orb1 )))) ] = value; in set_dmrg_index() [all …]
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/dports/math/py-or-tools/or-tools-9.2/examples/data/flexible_jobshop/barnes/ |
H A D | param.dat | 267 C:/Monaldo/fjsp/Job_Data/Hurink_Data/Text/sdata/orb5.fjs
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