Searched refs:wf_vector (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | mp2_eri_gpw.F | 187 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: e_cutoff_old, wf_vector local 212 ALLOCATE (wf_vector(dimen_RI)) 222 wf_vector = 0.0_dp 223 wf_vector(LLL) = 1.0_dp 229 external_vector=wf_vector) 350 DEALLOCATE (wf_vector)
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H A D | mp2_ri_grad.F | 177 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: e_cutoff_old, wf_vector local 395 ALLOCATE (wf_vector(dimen_RI)) 447 wf_vector = 0.0_dp 448 wf_vector(LLL) = 1.0_dp 453 external_vector=wf_vector) 460 external_vector=wf_vector) 654 wf_vector = 0.0_dp 655 wf_vector(:) = -2.0_dp*G_PQ_local(:, L_counter) 659 external_vector=wf_vector) 878 DEALLOCATE (wf_vector)
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H A D | optimize_embedding_potential.F | 1850 ALLOCATE (wf_vector(dimen_aux)) 1851 wf_vector = 0.0_dp 1887 CALL mp_sum(wf_vector, para_env%group) 1893 external_vector=wf_vector) 1904 wf_vector = 0.0_dp 1914 CALL mp_sum(wf_vector, para_env%group) 1920 external_vector=wf_vector) 1934 wf_vector(l_global) = embed_pot_coef%local_data(LLL, 1) 1936 CALL mp_sum(wf_vector, para_env%group) 1945 external_vector=wf_vector) [all …]
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | mp2_eri_gpw.F | 186 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: e_cutoff_old, wf_vector local 211 ALLOCATE (wf_vector(dimen_RI)) 221 wf_vector = 0.0_dp 222 wf_vector(LLL) = 1.0_dp 228 external_vector=wf_vector) 347 DEALLOCATE (wf_vector)
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H A D | mp2_ri_grad.F | 176 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: e_cutoff_old, wf_vector local 394 ALLOCATE (wf_vector(dimen_RI)) 446 wf_vector = 0.0_dp 447 wf_vector(LLL) = 1.0_dp 452 external_vector=wf_vector) 459 external_vector=wf_vector) 650 wf_vector = 0.0_dp 651 wf_vector(:) = -2.0_dp*G_PQ_local(:, L_counter) 655 external_vector=wf_vector) 871 DEALLOCATE (wf_vector)
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H A D | optimize_embedding_potential.F | 1850 ALLOCATE (wf_vector(dimen_aux)) 1851 wf_vector = 0.0_dp 1887 CALL mp_sum(wf_vector, para_env%group) 1893 external_vector=wf_vector) 1904 wf_vector = 0.0_dp 1914 CALL mp_sum(wf_vector, para_env%group) 1920 external_vector=wf_vector) 1934 wf_vector(l_global) = embed_pot_coef%local_data(LLL, 1) 1936 CALL mp_sum(wf_vector, para_env%group) 1945 external_vector=wf_vector) [all …]
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