/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/cpsp/ |
H A D | cpsp.F | 471 call Cram_r_pack(0,dbl_mb(Gx(1))) 472 call Cram_r_pack(0,dbl_mb(Gy(1))) 473 call Cram_r_pack(0,dbl_mb(Gz(1))) 576 call Cram_r_pack(0,dbl_mb(Gx(1))) 577 call Cram_r_pack(0,dbl_mb(Gy(1))) 578 call Cram_r_pack(0,dbl_mb(Gz(1))) 2073 call Cram_r_pack(0,tmp2) 2142 call Cram_r_pack(0,tmp2) 2146 call Cram_r_pack(0,tmp2) 2150 call Cram_r_pack(0,tmp2) [all …]
|
H A D | cpsp_stress.F | 154 call Cram_r_pack(0,dbl_mb(G(1,1))) 155 call Cram_r_pack(0,dbl_mb(G(1,2))) 156 call Cram_r_pack(0,dbl_mb(G(1,3))) 334 call Cram_r_pack(nb,dbl_mb(G(1,1))) 335 call Cram_r_pack(nb,dbl_mb(G(1,2))) 336 call Cram_r_pack(nb,dbl_mb(G(1,3))) 622 call Cram_r_pack(0,tmp2) 635 call Cram_r_pack(nbq,tmp2) 647 call Cram_r_pack(0,tmp2)
|
H A D | c_semicore_force.F | 90 call Cram_r_pack(0,dbl_mb(Gx(1))) 91 call Cram_r_pack(0,dbl_mb(Gy(1))) 92 call Cram_r_pack(0,dbl_mb(Gz(1)))
|
H A D | cpsp_relativistic.F | 573 call Cram_r_pack(nb,dbl_mb(Gx(1))) 574 call Cram_r_pack(nb,dbl_mb(Gy(1))) 575 call Cram_r_pack(nb,dbl_mb(Gz(1))) 840 call Cram_r_pack(nb,dbl_mb(Gx(1))) 841 call Cram_r_pack(nb,dbl_mb(Gy(1))) 842 call Cram_r_pack(nb,dbl_mb(Gz(1)))
|
H A D | c_semicore.F | 438 call Cram_r_pack(0,dcpl_mb(Gu)) 439 call Cram_r_pack(0,dcpl_mb(Gs))
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/coulomb/ |
H A D | c_coulomb.F | 72 call Cram_r_pack(0,dbl_mb(tmp1(1))) 223 call Cram_r_pack(0,dbl_mb(G(1,1))) 224 call Cram_r_pack(0,dbl_mb(G(1,2))) 225 call Cram_r_pack(0,dbl_mb(G(1,3)))
|
H A D | c_coulomb_screened.F | 304 call Cram_r_pack(0,dbl_mb(gk2(1))) 618 call Cram_r_pack(0,dbl_mb(gk2(1))) 718 call Cram_r_pack(0,dbl_mb(gk2(1))) 827 call Cram_r_pack(0,dbl_mb(gk2(1))) 865 call Cram_r_pack(0,dbl_mb(gk2(1)))
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/coulomb/ |
H A D | c_coulomb.F | 72 call Cram_r_pack(0,dbl_mb(tmp1(1))) 223 call Cram_r_pack(0,dbl_mb(G(1,1))) 224 call Cram_r_pack(0,dbl_mb(G(1,2))) 225 call Cram_r_pack(0,dbl_mb(G(1,3)))
|
H A D | c_coulomb_screened.F | 304 call Cram_r_pack(0,dbl_mb(gk2(1))) 618 call Cram_r_pack(0,dbl_mb(gk2(1))) 718 call Cram_r_pack(0,dbl_mb(gk2(1))) 827 call Cram_r_pack(0,dbl_mb(gk2(1))) 865 call Cram_r_pack(0,dbl_mb(gk2(1)))
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/cpsp/ |
H A D | cpsp_stress.F | 154 call Cram_r_pack(0,dbl_mb(G(1,1))) 155 call Cram_r_pack(0,dbl_mb(G(1,2))) 156 call Cram_r_pack(0,dbl_mb(G(1,3))) 334 call Cram_r_pack(nb,dbl_mb(G(1,1))) 335 call Cram_r_pack(nb,dbl_mb(G(1,2))) 336 call Cram_r_pack(nb,dbl_mb(G(1,3))) 622 call Cram_r_pack(0,tmp2) 635 call Cram_r_pack(nbq,tmp2) 647 call Cram_r_pack(0,tmp2)
|
H A D | cpsp.F | 471 call Cram_r_pack(0,dbl_mb(Gx(1))) 472 call Cram_r_pack(0,dbl_mb(Gy(1))) 473 call Cram_r_pack(0,dbl_mb(Gz(1))) 576 call Cram_r_pack(0,dbl_mb(Gx(1))) 577 call Cram_r_pack(0,dbl_mb(Gy(1))) 578 call Cram_r_pack(0,dbl_mb(Gz(1))) 1695 call Cram_r_pack(0,tmp2) 1764 call Cram_r_pack(0,tmp2) 1768 call Cram_r_pack(0,tmp2) 1772 call Cram_r_pack(0,tmp2) [all …]
|
H A D | c_semicore_force.F | 90 call Cram_r_pack(0,dbl_mb(Gx(1))) 91 call Cram_r_pack(0,dbl_mb(Gy(1))) 92 call Cram_r_pack(0,dbl_mb(Gz(1)))
|
H A D | cpsp_relativistic.F | 573 call Cram_r_pack(nb,dbl_mb(Gx(1))) 574 call Cram_r_pack(nb,dbl_mb(Gy(1))) 575 call Cram_r_pack(nb,dbl_mb(Gz(1)))
|
H A D | c_semicore.F | 438 call Cram_r_pack(0,dcpl_mb(Gu)) 439 call Cram_r_pack(0,dcpl_mb(Gs))
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/ke/ |
H A D | cke.F | 61 call Cram_r_pack(nb,dbl_mb(tmp1(1))) 97 call Cram_r_pack(nb,dbl_mb(tmp1(1))) 98 call Cram_r_pack(nb,dbl_mb(tmp2(1))) 395 call Cram_r_pack(nbq,dbl_mb(G(1,1))) 396 call Cram_r_pack(nbq,dbl_mb(G(1,2))) 397 call Cram_r_pack(nbq,dbl_mb(G(1,3)))
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/ke/ |
H A D | cke.F | 61 call Cram_r_pack(nb,dbl_mb(tmp1(1))) 97 call Cram_r_pack(nb,dbl_mb(tmp1(1))) 98 call Cram_r_pack(nb,dbl_mb(tmp2(1))) 436 call Cram_r_pack(nbq,dbl_mb(G(1,1))) 437 call Cram_r_pack(nbq,dbl_mb(G(1,2))) 438 call Cram_r_pack(nbq,dbl_mb(G(1,3)))
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/analysis/APC/ |
H A D | band_atom_Efield.F | 96 call Cram_r_pack(0,dbl_mb(Gx(1))) 97 call Cram_r_pack(0,dbl_mb(Gy(1))) 98 call Cram_r_pack(0,dbl_mb(Gz(1)))
|
H A D | band_APC.F | 141 call Cram_r_pack(0,dbl_mb(tmp1(1))) 165 call Cram_r_pack(0,dbl_mb(tmp1(1)))
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/analysis/APC/ |
H A D | band_Efield.F | 96 call Cram_r_pack(0,dbl_mb(Gx(1))) 97 call Cram_r_pack(0,dbl_mb(Gy(1))) 98 call Cram_r_pack(0,dbl_mb(Gz(1)))
|
H A D | band_APC.F | 141 call Cram_r_pack(0,dbl_mb(tmp1(1))) 165 call Cram_r_pack(0,dbl_mb(tmp1(1)))
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/ |
H A D | kerker_G.F | 78 call Cram_r_pack(0,dbl_mb(tmp1(1)))
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/utilities/ |
H A D | kerker_G.F | 68 call Cram_r_pack(0,dbl_mb(tmp1(1)))
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/ewald/ |
H A D | c_ewald.F | 728 call Cram_r_pack(0,dbl_mb(G(1,1))) 729 call Cram_r_pack(0,dbl_mb(G(1,2))) 730 call Cram_r_pack(0,dbl_mb(G(1,3)))
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/ewald/ |
H A D | c_ewald.F | 728 call Cram_r_pack(0,dbl_mb(G(1,1))) 729 call Cram_r_pack(0,dbl_mb(G(1,2))) 730 call Cram_r_pack(0,dbl_mb(G(1,3)))
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/borbs/ |
H A D | borbs.F | 522 call Cram_r_pack(nbq,tmp2)
|