| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | atom_electronic_structure.F | 19 sgp_pseudo, upf_pseudo
223 CASE (gth_pseudo, upf_pseudo, sgp_pseudo, ecp_pseudo)
286 CASE (gth_pseudo, upf_pseudo, sgp_pseudo, ecp_pseudo)
550 CASE (upf_pseudo, sgp_pseudo, ecp_pseudo)
629 CASE (gth_pseudo, upf_pseudo, sgp_pseudo, ecp_pseudo)
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| H A D | atom_operators.F | 20 no_pseudo, num_basis, release_atom_basis, sgp_pseudo, sto_basis, upf_pseudo
426 CASE (upf_pseudo)
503 CASE (upf_pseudo)
588 CASE (upf_pseudo)
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| H A D | atom_output.F | 13 upf_pseudo
699 CASE (upf_pseudo)
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| H A D | atom_xc.F | 17 upf_pseudo
222 ELSE IF (atom%potential%ppot_type == upf_pseudo) THEN
431 ELSE IF (atom%potential%ppot_type == upf_pseudo) THEN
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| H A D | input_cp2k_atom.F | 22 numerical, poly_conf, sgp_pseudo, slater, upf_pseudo
975 … enum_i_vals=(/no_pseudo, gth_pseudo, upf_pseudo, sgp_pseudo, ecp_pseudo/), &
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| H A D | input_constants.F | 171 upf_pseudo = 2, & variable
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| H A D | atom_sgp.F | 19 upf_pseudo
224 CASE (upf_pseudo)
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| H A D | atom_types.F | 34 sgp_pseudo, slater, upf_pseudo
337 PUBLIC :: no_pseudo, gth_pseudo, sgp_pseudo, upf_pseudo, ecp_pseudo
2489 CASE (upf_pseudo)
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| H A D | atom_utils.F | 22 lmat, no_pseudo, sgp_pseudo, upf_pseudo
770 CASE (upf_pseudo)
2328 ELSE IF (atom%potential%ppot_type == upf_pseudo) THEN
|
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | atom_electronic_structure.F | 19 sgp_pseudo, upf_pseudo
223 CASE (gth_pseudo, upf_pseudo, sgp_pseudo, ecp_pseudo)
286 CASE (gth_pseudo, upf_pseudo, sgp_pseudo, ecp_pseudo)
550 CASE (upf_pseudo, sgp_pseudo, ecp_pseudo)
629 CASE (gth_pseudo, upf_pseudo, sgp_pseudo, ecp_pseudo)
|
| H A D | atom_operators.F | 20 no_pseudo, num_basis, release_atom_basis, sgp_pseudo, sto_basis, upf_pseudo
427 CASE (upf_pseudo)
504 CASE (upf_pseudo)
589 CASE (upf_pseudo)
|
| H A D | atom_output.F | 13 upf_pseudo
699 CASE (upf_pseudo)
|
| H A D | atom_xc.F | 17 upf_pseudo
222 ELSE IF (atom%potential%ppot_type == upf_pseudo) THEN
431 ELSE IF (atom%potential%ppot_type == upf_pseudo) THEN
|
| H A D | input_cp2k_atom.F | 22 numerical, poly_conf, sgp_pseudo, slater, upf_pseudo
975 … enum_i_vals=(/no_pseudo, gth_pseudo, upf_pseudo, sgp_pseudo, ecp_pseudo/), &
|
| H A D | input_constants.F | 171 upf_pseudo = 2, & variable
|
| H A D | atom_sgp.F | 19 upf_pseudo
224 CASE (upf_pseudo)
|
| H A D | atom_types.F | 34 sgp_pseudo, slater, upf_pseudo
337 PUBLIC :: no_pseudo, gth_pseudo, sgp_pseudo, upf_pseudo, ecp_pseudo
2489 CASE (upf_pseudo)
|
| H A D | atom_utils.F | 22 lmat, no_pseudo, sgp_pseudo, upf_pseudo
770 CASE (upf_pseudo)
2328 ELSE IF (atom%potential%ppot_type == upf_pseudo) THEN
|