| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_admm_utils.F | 36 USE hfx_energy_potential, ONLY: integrate_four_center
323 … CALL integrate_four_center(qs_env, x_data, matrix_ks_orb, eh1, rho_ao_orb, hfx_sections, &
372 … CALL integrate_four_center(qs_env, x_data, matrix_ks_orb, eh1, rho_ao_orb, hfx_sections, &
1024 … CALL integrate_four_center(qs_env, x_data, matrix_ks_kp, eh1, rho_ao_kp, hfx_sections, para_env, &
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| H A D | rpa_axk.F | 35 USE hfx_energy_potential, ONLY: integrate_four_center
455 CALL integrate_four_center(qs_env, x_data, mat_2d, ehfx, rho_ao_2d, hfx_sections, &
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| H A D | rpa_rse.F | 40 USE hfx_energy_potential, ONLY: integrate_four_center
440 …CALL integrate_four_center(qs_env, qs_env%mp2_env%ri_rpa%x_data, mat_2d, ehfx, rho_ao_2d, hfx_sect…
468 …CALL integrate_four_center(qs_env, qs_env%mp2_env%ri_rpa%x_data, mat_2d, ehfx, rho_ao_2d, hfx_sect…
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| H A D | mp2.F | 64 USE hfx_energy_potential, ONLY: integrate_four_center
1226 CALL integrate_four_center(qs_env, qs_env%mp2_env%ri_rpa%x_data, matrix_ks_2d, eh1, &
1564 CALL integrate_four_center(qs_env, qs_env%mp2_env%ri_rpa%x_data, matrix_ks_2d, eh1, &
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| H A D | hfx_energy_potential.F | 101 PUBLIC :: integrate_four_center, coulomb4
134 … SUBROUTINE integrate_four_center(qs_env, x_data, ks_matrix, ehfx, rho_ao, hfx_section, para_env, & subroutine
2165 END SUBROUTINE integrate_four_center
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| H A D | mp2_cphf.F | 41 USE hfx_energy_potential, ONLY: integrate_four_center
1240 CALL integrate_four_center(qs_env, x_data, mat_2d, ehfx, rho_ao_2d, hfx_sections, &
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | rpa_axk.F | 35 USE hfx_energy_potential, ONLY: integrate_four_center
455 CALL integrate_four_center(qs_env, x_data, mat_2d, ehfx, rho_ao_2d, hfx_sections, &
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| H A D | rpa_rse.F | 40 USE hfx_energy_potential, ONLY: integrate_four_center
440 …CALL integrate_four_center(qs_env, qs_env%mp2_env%ri_rpa%x_data, mat_2d, ehfx, rho_ao_2d, hfx_sect…
468 …CALL integrate_four_center(qs_env, qs_env%mp2_env%ri_rpa%x_data, mat_2d, ehfx, rho_ao_2d, hfx_sect…
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| H A D | hfx_admm_utils.F | 44 USE hfx_energy_potential, ONLY: integrate_four_center
467 … CALL integrate_four_center(qs_env, x_data, matrix_ks_orb, eh1, rho_ao_orb, hfx_sections, &
538 … CALL integrate_four_center(qs_env, x_data, matrix_ks_orb, eh1, rho_ao_orb, hfx_sections, &
1395 … CALL integrate_four_center(qs_env, x_data, matrix_ks_kp, eh1, rho_ao_kp, hfx_sections, para_env, &
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| H A D | mp2.F | 61 USE hfx_energy_potential, ONLY: integrate_four_center
1227 CALL integrate_four_center(qs_env, qs_env%mp2_env%ri_rpa%x_data, matrix_ks_2d, eh1, &
1565 CALL integrate_four_center(qs_env, qs_env%mp2_env%ri_rpa%x_data, matrix_ks_2d, eh1, &
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| H A D | response_solver.F | 46 USE hfx_energy_potential, ONLY: integrate_four_center
799 CALL integrate_four_center(qs_env, x_data, mhz, eh1, mpz, hfx_section, &
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| H A D | hfx_energy_potential.F | 101 PUBLIC :: integrate_four_center, coulomb4
134 … SUBROUTINE integrate_four_center(qs_env, x_data, ks_matrix, ehfx, rho_ao, hfx_section, para_env, & subroutine
2165 END SUBROUTINE integrate_four_center
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| H A D | mp2_cphf.F | 41 USE hfx_energy_potential, ONLY: integrate_four_center
1240 CALL integrate_four_center(qs_env, x_data, mat_2d, ehfx, rho_ao_2d, hfx_sections, &
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| H A D | qs_linres_methods.F | 58 USE hfx_energy_potential, ONLY: integrate_four_center
1688 … CALL integrate_four_center(qs_env, x_data, matrix_ks_kp, eh1, rho_ao_kp, hfx_sections, para_env, &
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