/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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