| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | mp2_eri_gpw.F | 186 REAL(KIND=dp) :: cutoff_old, radius, relative_cutoff_old local
209 …CALL prepare_gpw(qs_env, dft_control, e_cutoff_old, cutoff_old, relative_cutoff_old, para_env_sub,…
354 CALL cleanup_gpw(qs_env, e_cutoff_old, cutoff_old, relative_cutoff_old, pw_env_sub, &
379 …SUBROUTINE prepare_gpw(qs_env, dft_control, e_cutoff_old, cutoff_old, relative_cutoff_old, para_en… argument
385 REAL(KIND=dp), INTENT(OUT) :: cutoff_old, relative_cutoff_old local
420 relative_cutoff_old = dft_control%qs_control%relative_cutoff
478 SUBROUTINE cleanup_gpw(qs_env, e_cutoff_old, cutoff_old, relative_cutoff_old, pw_env_sub, & argument
483 REAL(KIND=dp), INTENT(IN) :: cutoff_old, relative_cutoff_old local
510 dft_control%qs_control%relative_cutoff = relative_cutoff_old
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| H A D | mp2_gpw_method.F | 158 omega, relative_cutoff_old, wfn_size local
245 …CALL prepare_gpw(qs_env, dft_control, e_cutoff_old, cutoff_old, relative_cutoff_old, para_env_sub,…
611 CALL cleanup_gpw(qs_env, e_cutoff_old, cutoff_old, relative_cutoff_old, pw_env_sub, &
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| H A D | mp2_integrals.F | 259 relative_cutoff_old local
674 …CALL prepare_gpw(qs_env, dft_control, e_cutoff_old, cutoff_old, relative_cutoff_old, para_env_sub,…
715 CALL cleanup_gpw(qs_env, e_cutoff_old, cutoff_old, relative_cutoff_old, pw_env_sub, &
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| H A D | qs_active_space_methods.F | 951 relative_cutoff_old, rsize local
1008 relative_cutoff_old = dft_control%qs_control%relative_cutoff
1212 dft_control%qs_control%relative_cutoff = relative_cutoff_old
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| H A D | mp2_ri_grad.F | 176 relative_cutoff_old, total_rho local
391 …CALL prepare_gpw(qs_env, dft_control, e_cutoff_old, cutoff_old, relative_cutoff_old, para_env_sub,…
891 CALL cleanup_gpw(qs_env, e_cutoff_old, cutoff_old, relative_cutoff_old, pw_env_sub, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | mp2_eri_gpw.F | 185 REAL(KIND=dp) :: cutoff_old, rab2, relative_cutoff_old local
208 …CALL prepare_gpw(qs_env, dft_control, e_cutoff_old, cutoff_old, relative_cutoff_old, para_env_sub,…
351 CALL cleanup_gpw(qs_env, e_cutoff_old, cutoff_old, relative_cutoff_old, pw_env_sub, &
376 …SUBROUTINE prepare_gpw(qs_env, dft_control, e_cutoff_old, cutoff_old, relative_cutoff_old, para_en… argument
382 REAL(KIND=dp), INTENT(OUT) :: cutoff_old, relative_cutoff_old local
417 relative_cutoff_old = dft_control%qs_control%relative_cutoff
475 SUBROUTINE cleanup_gpw(qs_env, e_cutoff_old, cutoff_old, relative_cutoff_old, pw_env_sub, & argument
480 REAL(KIND=dp), INTENT(IN) :: cutoff_old, relative_cutoff_old local
507 dft_control%qs_control%relative_cutoff = relative_cutoff_old
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| H A D | mp2_gpw_method.F | 158 omega, relative_cutoff_old, wfn_size local
245 …CALL prepare_gpw(qs_env, dft_control, e_cutoff_old, cutoff_old, relative_cutoff_old, para_env_sub,…
611 CALL cleanup_gpw(qs_env, e_cutoff_old, cutoff_old, relative_cutoff_old, pw_env_sub, &
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| H A D | qs_active_space_methods.F | 951 relative_cutoff_old, rsize local
1008 relative_cutoff_old = dft_control%qs_control%relative_cutoff
1212 dft_control%qs_control%relative_cutoff = relative_cutoff_old
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| H A D | mp2_ri_grad.F | 175 relative_cutoff_old, total_rho local
390 …CALL prepare_gpw(qs_env, dft_control, e_cutoff_old, cutoff_old, relative_cutoff_old, para_env_sub,…
884 CALL cleanup_gpw(qs_env, e_cutoff_old, cutoff_old, relative_cutoff_old, pw_env_sub, &
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| H A D | mp2_integrals.F | 294 relative_cutoff_old local
677 …CALL prepare_gpw(qs_env, dft_control, e_cutoff_old, cutoff_old, relative_cutoff_old, para_env_sub,…
718 CALL cleanup_gpw(qs_env, e_cutoff_old, cutoff_old, relative_cutoff_old, pw_env_sub, &
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