| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | kpoint_types.F | 155 para_env_inter_kp => Null() component
209 NULLIFY (kpoint%para_env_full, kpoint%para_env_kp, kpoint%para_env_inter_kp)
258 CALL cp_para_env_release(kpoint%para_env_inter_kp)
319 … para_env, blacs_env_all, cart, para_env_full, para_env_kp, para_env_inter_kp, blacs_env, & argument
337 para_env_inter_kp local
372 IF (PRESENT(para_env_inter_kp)) para_env_inter_kp => kpoint%para_env_inter_kp
425 … para_env, blacs_env_all, cart, para_env_full, para_env_kp, para_env_inter_kp, blacs_env, & argument
443 para_env_inter_kp local
478 IF (PRESENT(para_env_inter_kp)) kpoint%para_env_inter_kp => para_env_inter_kp
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| H A D | kpoint_methods.F | 282 para_env_inter_kp, para_env_kp local
319 kpoint%para_env_inter_kp => para_env
353 NULLIFY (cart, para_env_full, para_env_kp, para_env_inter_kp)
366 CALL cp_para_env_create(para_env_inter_kp, comm_inter_kp, &
378 kpoint%para_env_inter_kp => para_env_inter_kp
386 kpoint%kp_range(1:2) = kpoint%kp_dist(1:2, para_env_inter_kp%mepos + 1)
800 TYPE(cp_para_env_type), POINTER :: para_env_inter_kp local
831 CALL get_kpoint_info(kpoint, para_env_inter_kp=para_env_inter_kp)
832 CALL mp_sum(weig, para_env_inter_kp%group)
1023 TYPE(cp_para_env_type), POINTER :: para_env, para_env_inter_kp local
[all …]
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| H A D | qs_band_structure.F | 267 CALL mp_sum(eigval, kpoint%para_env_inter_kp%group)
268 CALL mp_sum(occnum, kpoint%para_env_inter_kp%group)
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| H A D | qs_wannier90.F | 601 CALL mp_sum(eigval, kpoint%para_env_inter_kp%group)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | kpoint_types.F | 155 para_env_inter_kp => Null() component
209 NULLIFY (kpoint%para_env_full, kpoint%para_env_kp, kpoint%para_env_inter_kp)
258 CALL cp_para_env_release(kpoint%para_env_inter_kp)
319 … para_env, blacs_env_all, cart, para_env_full, para_env_kp, para_env_inter_kp, blacs_env, & argument
337 para_env_inter_kp local
372 IF (PRESENT(para_env_inter_kp)) para_env_inter_kp => kpoint%para_env_inter_kp
425 … para_env, blacs_env_all, cart, para_env_full, para_env_kp, para_env_inter_kp, blacs_env, & argument
443 para_env_inter_kp local
478 IF (PRESENT(para_env_inter_kp)) kpoint%para_env_inter_kp => para_env_inter_kp
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| H A D | kpoint_methods.F | 282 para_env_inter_kp, para_env_kp local
319 kpoint%para_env_inter_kp => para_env
353 NULLIFY (cart, para_env_full, para_env_kp, para_env_inter_kp)
366 CALL cp_para_env_create(para_env_inter_kp, comm_inter_kp, &
378 kpoint%para_env_inter_kp => para_env_inter_kp
386 kpoint%kp_range(1:2) = kpoint%kp_dist(1:2, para_env_inter_kp%mepos + 1)
800 TYPE(cp_para_env_type), POINTER :: para_env_inter_kp local
831 CALL get_kpoint_info(kpoint, para_env_inter_kp=para_env_inter_kp)
832 CALL mp_sum(weig, para_env_inter_kp%group)
1023 TYPE(cp_para_env_type), POINTER :: para_env, para_env_inter_kp local
[all …]
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| H A D | qs_band_structure.F | 253 CALL mp_sum(eigval, kpoint%para_env_inter_kp%group)
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| H A D | qs_wannier90.F | 601 CALL mp_sum(eigval, kpoint%para_env_inter_kp%group)
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