/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
H A D | pspw_energy.F | 44 real*8 lattice_wcut,lattice_ecut 45 external lattice_wcut,lattice_ecut 62 wcut0 = lattice_wcut()
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H A D | cgsdv5.F | 69 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 77 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 504 write(luout,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3), 508 > control_smooth_cutoff_values(1)*lattice_wcut(), 552 write(luout,1251) lattice_wcut(),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/ |
H A D | pspw_energy.F | 44 real*8 lattice_wcut,lattice_ecut 45 external lattice_wcut,lattice_ecut 62 wcut0 = lattice_wcut()
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H A D | cgsdv5.F | 69 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 77 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 490 write(luout,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3), 494 > control_smooth_cutoff_values(1)*lattice_wcut(), 538 write(luout,1251) lattice_wcut(),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/ |
H A D | band_energy.F | 36 real*8 lattice_wcut,lattice_ecut 37 external lattice_wcut,lattice_ecut 66 wcut0 = lattice_wcut()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/makepsi/ |
H A D | pspw_translate.F | 54 real*8 lattice_ecut,lattice_wcut,lattice_omega 61 external lattice_ecut,lattice_wcut,lattice_omega 204 write(luout,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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H A D | pspw_wannier_old.F | 42 real*8 lattice_ecut,lattice_wcut,lattice_omega 49 external lattice_ecut,lattice_wcut,lattice_omega 236 write(6,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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H A D | pspw_wannier2.F | 70 real*8 lattice_ecut,lattice_wcut,lattice_omega 78 external lattice_ecut,lattice_wcut,lattice_omega 210 write(luout,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/makepsi/ |
H A D | pspw_translate.F | 54 real*8 lattice_ecut,lattice_wcut,lattice_omega 61 external lattice_ecut,lattice_wcut,lattice_omega 204 write(luout,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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H A D | pspw_wannier_old.F | 42 real*8 lattice_ecut,lattice_wcut,lattice_omega 49 external lattice_ecut,lattice_wcut,lattice_omega 236 write(6,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/minimizer/ |
H A D | band_minimizer.F | 65 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 68 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 472 write(luout,1251) i,lattice_wcut(),ngrid(1),ngrid(2),ngrid(3), 477 if (mprint) write(luout,1252) lattice_wcut() 483 > control_smooth_cutoff_values(1)*lattice_wcut(),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lcao/ |
H A D | lcaov1.F | 56 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local 58 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut
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H A D | lcao_wvfnc_bak.F | 52 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local 63 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 209 write(6,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lcao/ |
H A D | lcaov1.F | 56 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 58 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut
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H A D | lcao_wvfnc_bak.F | 52 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 63 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 209 write(6,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/minimizer/ |
H A D | band_minimizer.F | 65 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 68 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 506 write(luout,1251) i,lattice_wcut(),ngrid(1),ngrid(2),ngrid(3), 511 if (mprint) write(luout,1252) lattice_wcut() 517 > control_smooth_cutoff_values(1)*lattice_wcut(),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/ke/ |
H A D | ke.F | 34 real*8 lattice_wcut,control_smooth_cutoff_values,util_erf local 35 external lattice_wcut,control_smooth_cutoff_values,util_erf 83 E0 = lattice_wcut()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
H A D | mmsdv1.F | 82 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local 89 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 300 write(6,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/ |
H A D | mmsdv1.F | 82 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 89 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 300 write(6,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/ke/ |
H A D | ke.F | 34 real*8 lattice_wcut,control_smooth_cutoff_values,util_erf 35 external lattice_wcut,control_smooth_cutoff_values,util_erf 83 E0 = lattice_wcut()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/cgsd/ |
H A D | paw_minimizer.F | 69 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local 75 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 434 write(6,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/cgsd/ |
H A D | paw_minimizer.F | 69 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 75 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 434 write(6,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/minimizer/ |
H A D | ofpw_minimizer.F | 72 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut local 80 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 427 write(luout,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/ke/ |
H A D | cke.F | 27 real*8 brillioun_k,lattice_wcut,util_erf 28 external brillioun_k,lattice_wcut,util_erf 73 E0 = lattice_wcut()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/minimizer/ |
H A D | ofpw_minimizer.F | 72 real*8 lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 80 external lattice_omega,lattice_unita,lattice_ecut,lattice_wcut 427 write(luout,1251) lattice_wcut(),ngrid(1),ngrid(2),ngrid(3),
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