/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
H A D | tce_ao2e_cholesky_orb.F | 106 integer l_a4_offset,k_a4_offset local 582 & l_a4_offset,k_a4_offset) 584 length_a4=int_mb(k_a4_offset) 586 a4_ini = int_mb(k_a4_offset+ii) 1793 & l_a4_offset,k_a4_offset) argument 1816 &l_a4_offset,k_a4_offset)) 1818 int_mb(k_a4_offset) = length_a4 1828 int_mb(k_a4_offset+i)=a4_ini 1829 int_mb(k_a4_offset+length_a4+i)=azone4-1 1840 int_mb(k_a4_offset+i)=a4_ini [all …]
|
H A D | tce_mo2e_zones_4a_disk_4s_new_patch.F | 106 integer l_a4_offset,k_a4_offset 584 & l_a4_offset,k_a4_offset) 586 length_a4=int_mb(k_a4_offset) 588 a4_ini = int_mb(k_a4_offset+ii) 1796 & l_a4_offset,k_a4_offset) 1819 &l_a4_offset,k_a4_offset)) 1821 int_mb(k_a4_offset) = length_a4 1831 int_mb(k_a4_offset+i)=a4_ini 1832 int_mb(k_a4_offset+length_a4+i)=azone4-1 1843 int_mb(k_a4_offset+i)=a4_ini [all …]
|
H A D | tce_mo2e_incore_2eorb.F | 109 integer l_a4_offset,k_a4_offset 468 & l_a4_offset,k_a4_offset) 470 length_a4=int_mb(k_a4_offset) 472 a4_ini = int_mb(k_a4_offset+ii) 473 a4_fin = int_mb(k_a4_offset+length_a4+ii) 478 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
H A D | tce_mo2e_zones_4a_disk_4s_new_patch_m3.F | 106 integer l_a4_offset,k_a4_offset 883 & l_a4_offset,k_a4_offset) 885 length_a4=int_mb(k_a4_offset) 887 a4_ini = int_mb(k_a4_offset+ii) 888 a4_fin = int_mb(k_a4_offset+length_a4+ii) 894 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
H A D | tce_mo2e_disk_2eorb.F | 106 integer l_a4_offset,k_a4_offset 867 & l_a4_offset,k_a4_offset) 869 length_a4=int_mb(k_a4_offset) 871 a4_ini = int_mb(k_a4_offset+ii) 872 a4_fin = int_mb(k_a4_offset+length_a4+ii) 878 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
H A D | tce_mo2e_incore_2eorb_split.F | 107 integer l_a4_offset,k_a4_offset 780 & l_a4_offset,k_a4_offset) 782 length_a4=int_mb(k_a4_offset) 784 a4_ini = int_mb(k_a4_offset+ii) 785 a4_fin = int_mb(k_a4_offset+length_a4+ii) 791 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
H A D | tce_mo2e_hybrid_2eorb_split.F | 107 integer l_a4_offset,k_a4_offset 870 & l_a4_offset,k_a4_offset) 872 length_a4=int_mb(k_a4_offset) 874 a4_ini = int_mb(k_a4_offset+ii) 875 a4_fin = int_mb(k_a4_offset+length_a4+ii) 881 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
H A D | tce_mo2e_zones_4a_disk_4s_new_patch_m2.F | 106 integer l_a4_offset,k_a4_offset 870 & l_a4_offset,k_a4_offset) 872 length_a4=int_mb(k_a4_offset) 874 a4_ini = int_mb(k_a4_offset+ii) 875 a4_fin = int_mb(k_a4_offset+length_a4+ii) 881 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ |
H A D | tce_ao2e_cholesky_orb.F | 106 integer l_a4_offset,k_a4_offset 582 & l_a4_offset,k_a4_offset) 584 length_a4=int_mb(k_a4_offset) 586 a4_ini = int_mb(k_a4_offset+ii) 1793 & l_a4_offset,k_a4_offset) 1816 &l_a4_offset,k_a4_offset)) 1818 int_mb(k_a4_offset) = length_a4 1828 int_mb(k_a4_offset+i)=a4_ini 1829 int_mb(k_a4_offset+length_a4+i)=azone4-1 1840 int_mb(k_a4_offset+i)=a4_ini [all …]
|
H A D | tce_mo2e_zones_4a_disk_4s_new_patch.F | 106 integer l_a4_offset,k_a4_offset 584 & l_a4_offset,k_a4_offset) 586 length_a4=int_mb(k_a4_offset) 588 a4_ini = int_mb(k_a4_offset+ii) 1796 & l_a4_offset,k_a4_offset) 1819 &l_a4_offset,k_a4_offset)) 1821 int_mb(k_a4_offset) = length_a4 1831 int_mb(k_a4_offset+i)=a4_ini 1832 int_mb(k_a4_offset+length_a4+i)=azone4-1 1843 int_mb(k_a4_offset+i)=a4_ini [all …]
|
H A D | tce_mo2e_incore_2eorb.F | 109 integer l_a4_offset,k_a4_offset 468 & l_a4_offset,k_a4_offset) 470 length_a4=int_mb(k_a4_offset) 472 a4_ini = int_mb(k_a4_offset+ii) 473 a4_fin = int_mb(k_a4_offset+length_a4+ii) 478 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
H A D | tce_mo2e_disk_2eorb.F | 106 integer l_a4_offset,k_a4_offset 867 & l_a4_offset,k_a4_offset) 869 length_a4=int_mb(k_a4_offset) 871 a4_ini = int_mb(k_a4_offset+ii) 872 a4_fin = int_mb(k_a4_offset+length_a4+ii) 878 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
H A D | tce_mo2e_zones_4a_disk_4s_new_patch_m3.F | 106 integer l_a4_offset,k_a4_offset 883 & l_a4_offset,k_a4_offset) 885 length_a4=int_mb(k_a4_offset) 887 a4_ini = int_mb(k_a4_offset+ii) 888 a4_fin = int_mb(k_a4_offset+length_a4+ii) 894 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
H A D | tce_mo2e_zones_4a_disk_4s_new_patch_m2.F | 106 integer l_a4_offset,k_a4_offset 870 & l_a4_offset,k_a4_offset) 872 length_a4=int_mb(k_a4_offset) 874 a4_ini = int_mb(k_a4_offset+ii) 875 a4_fin = int_mb(k_a4_offset+length_a4+ii) 881 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
H A D | tce_mo2e_hybrid_2eorb_split.F | 107 integer l_a4_offset,k_a4_offset 870 & l_a4_offset,k_a4_offset) 872 length_a4=int_mb(k_a4_offset) 874 a4_ini = int_mb(k_a4_offset+ii) 875 a4_fin = int_mb(k_a4_offset+length_a4+ii) 881 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|
H A D | tce_mo2e_incore_2eorb_split.F | 107 integer l_a4_offset,k_a4_offset 780 & l_a4_offset,k_a4_offset) 782 length_a4=int_mb(k_a4_offset) 784 a4_ini = int_mb(k_a4_offset+ii) 785 a4_fin = int_mb(k_a4_offset+length_a4+ii) 791 size_bl4a = int_mb(k_a4_offset+2*length_a4+ii)
|