Searched refs:ng_sphere (Results 1 – 24 of 24) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_epr_hyp.F | 189 DO ia = 1, grid_atom%ng_sphere 201 DO ia = 1, grid_atom%ng_sphere 247 DO ia = 1, grid_atom%ng_sphere
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H A D | qs_vxc_atom.F | 214 na = grid_atom%ng_sphere 565 na = grid_atom%ng_sphere 760 na = grid_atom%ng_sphere 866 na = grid_atom%ng_sphere 931 na = grid_atom%ng_sphere 1024 na = grid_atom%ng_sphere 1202 na = grid_atom%ng_sphere 1468 na = grid_atom%ng_sphere
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H A D | xas_tdp_atom.F | 362 grid_atom%ng_sphere = na 407 na = grid_atom%ng_sphere 1199 na = grid_atom%ng_sphere 1400 na = grid_atom%ng_sphere 1742 na = grid_atom%ng_sphere 2047 na = grid_atom%ng_sphere 2790 na = grid_atom%ng_sphere 2871 na = grid_atom%ng_sphere 3027 na = grid_atom%ng_sphere 3160 na = grid_atom%ng_sphere [all …]
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H A D | qs_local_rho_types.F | 114 na = grid_atom%ng_sphere
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H A D | qs_linres_epr_nablavks.F | 390 DO ia = 1, grid_atom%ng_sphere 747 DO ia = 1, grid_atom%ng_sphere 823 DO ia = 1, grid_atom%ng_sphere
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H A D | qs_linres_epr_ownutils.F | 441 DO ia = 1, grid_atom%ng_sphere 713 DO ia = 1, grid_atom%ng_sphere
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H A D | qs_grid_atom.F | 44 INTEGER :: nr, ng_sphere component
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H A D | qs_linres_atom_current.F | 731 na = grid_atom%ng_sphere 1255 na = grid_atom%ng_sphere
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H A D | qs_linres_nmr_shift.F | 353 na = grid_atom%ng_sphere
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H A D | qs_linres_types.F | 1359 na = grid_atom%ng_sphere
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H A D | qs_rho_atom_methods.F | 938 grid_atom%ng_sphere = na
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H A D | xc_pot_saop.F | 627 na = atomic_grid%ng_sphere
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_epr_hyp.F | 189 DO ia = 1, grid_atom%ng_sphere 201 DO ia = 1, grid_atom%ng_sphere 247 DO ia = 1, grid_atom%ng_sphere
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H A D | qs_vxc_atom.F | 231 na = grid_atom%ng_sphere 582 na = grid_atom%ng_sphere 777 na = grid_atom%ng_sphere 883 na = grid_atom%ng_sphere 948 na = grid_atom%ng_sphere 1041 na = grid_atom%ng_sphere 1219 na = grid_atom%ng_sphere 1485 na = grid_atom%ng_sphere
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H A D | xas_tdp_atom.F | 364 grid_atom%ng_sphere = na 409 na = grid_atom%ng_sphere 1202 na = grid_atom%ng_sphere 1396 na = grid_atom%ng_sphere 1790 na = grid_atom%ng_sphere 2133 na = grid_atom%ng_sphere 2855 na = grid_atom%ng_sphere 2934 na = grid_atom%ng_sphere 3088 na = grid_atom%ng_sphere 3220 na = grid_atom%ng_sphere [all …]
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H A D | qs_local_rho_types.F | 114 na = grid_atom%ng_sphere
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H A D | qs_linres_epr_nablavks.F | 398 DO ia = 1, grid_atom%ng_sphere 755 DO ia = 1, grid_atom%ng_sphere 831 DO ia = 1, grid_atom%ng_sphere
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H A D | qs_linres_epr_ownutils.F | 441 DO ia = 1, grid_atom%ng_sphere 713 DO ia = 1, grid_atom%ng_sphere
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H A D | qs_grid_atom.F | 44 INTEGER :: nr, ng_sphere component
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H A D | qs_linres_atom_current.F | 731 na = grid_atom%ng_sphere 1255 na = grid_atom%ng_sphere
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H A D | qs_linres_nmr_shift.F | 353 na = grid_atom%ng_sphere
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H A D | qs_linres_types.F | 1359 na = grid_atom%ng_sphere
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H A D | qs_rho_atom_methods.F | 945 grid_atom%ng_sphere = na
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H A D | xc_pot_saop.F | 643 na = atomic_grid%ng_sphere
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