| /dports/science/cp2k-data/cp2k-7.1.0/tests/QS/regtest-gpw-3/ |
| H A D | TEST_FILES_RESET | 107 H2O-xc_none.inp
222 H2O-xc_none.inp
234 H2O-xc_none.inp
246 H2O-xc_none.inp
385 H2O-xc_none.inp
433 H2O-xc_none.inp
450 H2O-xc_none.inp
493 H2O-xc_none.inp
600 H2O-xc_none.inp
652 H2O-xc_none.inp
[all …]
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| H A D | H2O-xc_none.inp | 41 PROJECT H2O-xc_none
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| H A D | TEST_FILES | 48 H2O-xc_none.inp 1 5e-14 -13.34544335665420
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | xc_write_output.F | 11 USE input_constants, ONLY: xc_none
59 IF (myfun /= xc_none) THEN
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| H A D | atom_output.F | 22 do_zoramp_atom, poly_conf, xc_none
524 myfun = xc_none
526 myfun = xc_none
528 myfun = xc_none
593 IF (myfun /= xc_none) THEN
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| H A D | qs_vxc.F | 24 xc_none,&
185 IF (myfun /= xc_none .OR. vdW_nl) THEN
694 IF (myfun /= xc_none) THEN
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| H A D | atom_xc.F | 26 USE input_constants, ONLY: xc_none
234 IF (myfun == xc_none) THEN
449 IF (myfun == xc_none) THEN
684 IF (myfun == xc_none) THEN
838 IF (myfun == xc_none) THEN
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| H A D | mp2.F | 68 do_eri_mme, do_potential_TShPSC, gw_print_exx, gw_read_exx, hfx_do_eval_energy, xc_none
1449 i_val=xc_none)
1459 i_val=xc_none)
1467 i_val=xc_none)
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| H A D | input_cp2k_check.F | 26 xc_funct_tpss, xc_funct_xwpbe, xc_none, xc_vdw_fun_nonloc
152 CASE (xc_funct_no_shortcut, xc_none)
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| H A D | input_constants.F | 532 xc_none = 8, & variable
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| H A D | input_cp2k_xc.F | 26 xc_funct_tpss, xc_none, xc_pot_energy_none, xc_pot_energy_sum_eigenvalues, &
94 …c_funct_tpss, xc_funct_hcth120, xc_funct_olyp, xc_funct_beefvdw, xc_funct_no_shortcut, xc_none/), &
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| H A D | qs_vxc_atom.F | 19 xc_none
188 IF (myfun == xc_none) THEN
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | xc_write_output.F | 11 USE input_constants, ONLY: xc_none
59 IF (myfun /= xc_none) THEN
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| H A D | atom_output.F | 22 do_zoramp_atom, poly_conf, xc_none
524 myfun = xc_none
526 myfun = xc_none
528 myfun = xc_none
593 IF (myfun /= xc_none) THEN
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| H A D | qs_vxc.F | 24 xc_none,&
185 IF (myfun /= xc_none .OR. vdW_nl) THEN
694 IF (myfun /= xc_none) THEN
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| H A D | atom_xc.F | 26 USE input_constants, ONLY: xc_none
234 IF (myfun == xc_none) THEN
449 IF (myfun == xc_none) THEN
684 IF (myfun == xc_none) THEN
838 IF (myfun == xc_none) THEN
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| H A D | mp2.F | 71 do_potential_TShPSC, gw_print_exx, gw_read_exx, hfx_do_eval_energy, xc_none
1448 i_val=xc_none)
1458 i_val=xc_none)
1466 i_val=xc_none)
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| H A D | input_cp2k_check.F | 26 xc_funct_tpss, xc_funct_xwpbe, xc_none, xc_vdw_fun_nonloc
152 CASE (xc_funct_no_shortcut, xc_none)
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| H A D | input_constants.F | 532 xc_none = 8, & variable
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| H A D | input_cp2k_xc.F | 26 xc_funct_tpss, xc_none, xc_pot_energy_none, xc_pot_energy_sum_eigenvalues, &
94 …c_funct_tpss, xc_funct_hcth120, xc_funct_olyp, xc_funct_beefvdw, xc_funct_no_shortcut, xc_none/), &
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| H A D | qs_vxc_atom.F | 19 xc_none
171 IF (myfun == xc_none) THEN
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tests/QS/regtest-gpw-3/ |
| H A D | H2O-xc_none.inp | 41 PROJECT H2O-xc_none
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| H A D | TEST_FILES | 48 H2O-xc_none.inp 1 5e-14 -13.34544293762806
|