| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_neighbor_lists.F | 119 atom2d_build, build_neighbor_lists, pair_radius_setup, &
578 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
750 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius)
778 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius)
799 CALL pair_radius_setup(xb1_atom, xb2_atom, c_radius, c_radius, pair_radius)
840 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius)
878 CALL pair_radius_setup(ri_present, ri_present, ri_radius, ri_radius, pair_radius)
884 CALL pair_radius_setup(ri_present, orb_present, ri_radius, orb_radius, pair_radius)
1492 CALL pair_radius_setup(a_present, b_present, a_radius, b_radius, pair_radius)
1575 SUBROUTINE pair_radius_setup(present_a, present_b, radius_a, radius_b, pair_radius) subroutine
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| H A D | kg_environment.F | 68 pair_radius_setup,&
378 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
407 CALL pair_radius_setup(orb_present, tpot_present, orb_radius, tpot_radius, pair_radius)
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| H A D | qs_tddfpt2_subgroups.F | 71 pair_radius_setup
625 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
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| H A D | energy_corrections.F | 141 pair_radius_setup
1739 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
1745 CALL pair_radius_setup(orb_present, ppl_present, orb_radius, ppl_radius, pair_radius)
1751 CALL pair_radius_setup(orb_present, ppnl_present, orb_radius, ppnl_radius, pair_radius)
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| H A D | xas_tdp_integrals.F | 81 pair_radius_setup
714 CALL pair_radius_setup(a_present, b_present, a_radius, b_radius, pair_radius)
850 CALL pair_radius_setup(a_present, c_present, a_radius, c_radius, pair_radius)
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| H A D | mp2_gpw.F | 98 pair_radius_setup
1206 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
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| H A D | qs_tensors.F | 78 pair_radius_setup
229 CALL pair_radius_setup(i_present, j_present, i_radius, j_radius, pair_radius)
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| H A D | admm_methods.F | 98 pair_radius_setup
407 CALL pair_radius_setup(aux_present, oce_present, aux_radius, oce_radius, pair_radius)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_neighbor_lists.F | 120 atom2d_build, build_neighbor_lists, pair_radius_setup, &
579 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
751 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius)
779 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius)
800 CALL pair_radius_setup(xb1_atom, xb2_atom, c_radius, c_radius, pair_radius)
841 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius)
879 CALL pair_radius_setup(ri_present, ri_present, ri_radius, ri_radius, pair_radius)
885 CALL pair_radius_setup(ri_present, orb_present, ri_radius, orb_radius, pair_radius)
1458 CALL pair_radius_setup(a_present, b_present, a_radius, b_radius, pair_radius)
1541 SUBROUTINE pair_radius_setup(present_a, present_b, radius_a, radius_b, pair_radius) subroutine
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| H A D | kg_energy_corrections.F | 97 pair_radius_setup
917 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
923 CALL pair_radius_setup(orb_present, ppl_present, orb_radius, ppl_radius, pair_radius)
929 CALL pair_radius_setup(orb_present, ppnl_present, orb_radius, ppnl_radius, pair_radius)
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| H A D | kg_environment.F | 81 pair_radius_setup,&
508 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
537 CALL pair_radius_setup(orb_present, tpot_present, orb_radius, tpot_radius, pair_radius)
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| H A D | qs_tddfpt2_subgroups.F | 69 pair_radius_setup
602 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
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| H A D | qs_tensors.F | 73 pair_radius_setup
224 CALL pair_radius_setup(i_present, j_present, i_radius, j_radius, pair_radius)
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| H A D | mp2_gpw.F | 112 pair_radius_setup
1314 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
1457 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius)
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| H A D | xas_tdp_utils.F | 104 pair_radius_setup
2055 CALL pair_radius_setup(a_present, b_present, a_radius, b_radius, pair_radius)
2191 CALL pair_radius_setup(a_present, c_present, a_radius, c_radius, pair_radius)
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