| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | rpa_main.F | 159 t_3c_M, t_3c_O, & argument
188 TYPE(dbcsr_t_type) :: t_3c_M local
673 t_3c_M, t_3c_O, &
697 t_3c_M, t_3c_O, &
1263 t_3c_M, t_3c_O, & argument
1295 TYPE(dbcsr_t_type), INTENT(INOUT) :: t_3c_M local
1676 t_3c_M, t_3c_O, &
1699 t_3c_M, t_3c_O, &
1716 t_3c_M, t_3c_O, &
2029 t_3c_M, t_3c_O, &
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| H A D | rpa_im_time.F | 118 t_3c_M, t_3c_O, & argument
135 TYPE(dbcsr_t_type), INTENT(INOUT) :: t_3c_M local
261 CALL tensor_change_pgrid(t_3c_M, pgrid_2_use, &
284 ALLOCATE (size_P(dbcsr_t_nblks_total(t_3c_M, 1)))
285 CALL dbcsr_t_get_info(t_3c_M, blk_size_1=size_P)
319 CALL dbcsr_t_create(t_3c_M, t_3c_M_occ, name="M occ (RI | AO AO)")
320 CALL dbcsr_t_create(t_3c_M, t_3c_M_virt, name="M virt (RI | AO AO)")
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| H A D | mp2_gpw.F | 173 TYPE(dbcsr_t_type) :: t_3c_M local
413 t_3c_M, t_3c_O, &
433 t_3c_M, t_3c_O, &
560 t_3c_M, t_3c_O, &
580 t_3c_M, t_3c_O, &
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| H A D | rpa_util.F | 1066 t_3c_M, t_3c_O, & argument
1091 TYPE(dbcsr_t_type) :: t_3c_M local
1166 CALL dbcsr_t_destroy(t_3c_M)
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| H A D | mp2_integrals.F | 184 t_3c_M, t_3c_O, & argument
222 TYPE(dbcsr_t_type), INTENT(OUT) :: t_3c_M local
860 CALL create_3c_tensor(t_3c_M, dist_RI, dist_AO_1, dist_AO_2, pgrid_t3c_M, &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | rpa_main.F | 180 … mat_M, mat_3c_overl_int, do_dbcsr_t, t_3c_overl_int, t_3c_M, t_3c_O, & argument
215 TYPE(dbcsr_t_type) :: t_3c_M local
678 do_dbcsr_t, t_3c_overl_int, t_3c_M, t_3c_O, &
702 do_dbcsr_t, t_3c_overl_int, t_3c_M, t_3c_O, &
1390 do_dbcsr_t, t_3c_overl_int, t_3c_M, t_3c_O, & argument
1427 TYPE(dbcsr_t_type), INTENT(INOUT) :: t_3c_M local
1838 do_dbcsr_t, t_3c_M, t_3c_O, &
1873 do_dbcsr_t, t_3c_M, t_3c_O, &
1902 do_dbcsr_t, t_3c_M, t_3c_O, &
2244 t_3c_overl_int, t_3c_M, t_3c_O, &
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| H A D | rpa_im_time.F | 126 t_3c_M, t_3c_O, & argument
142 TYPE(dbcsr_t_type), INTENT(INOUT) :: t_3c_M local
247 CALL tensor_change_pgrid(t_3c_M, pgrid_2_use, nodata=.TRUE., unit_nr=unit_nr_prv)
285 CALL dbcsr_t_get_info(t_3c_M, pdims=pdims)
308 CALL dbcsr_t_create(t_3c_M, t_3c_M_occ, name="M occ (RI | AO AO)")
309 CALL dbcsr_t_create(t_3c_M, t_3c_M_virt, name="M virt (RI | AO AO)")
688 mat_3c_overl_int_mao_for_virt_cut, do_dbcsr_t, t_3c_M, t_3c_O, & argument
720 TYPE(dbcsr_t_type), INTENT(INOUT) :: t_3c_M local
784 t_3c_M, t_3c_O, &
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| H A D | mp2_integrals.F | 215 … mat_3c_overl_int, do_dbcsr_t, t_3c_overl_int, t_3c_M, t_3c_O, mat_3c_overl_int_mao_for_occ, & argument
256 TYPE(dbcsr_t_type), INTENT(OUT) :: t_3c_M local
846 CALL create_tensor_M_3c(t_3c_M, pgrid_t3c_M, &
991 SUBROUTINE create_tensor_M_3c(t_3c_M, pgrid_t3c_M, mem_cut, sizes_AO, sizes_RI, & argument
993 TYPE(dbcsr_t_type), INTENT(OUT) :: t_3c_M local
1048 … CALL dbcsr_t_create(t_3c_M, "M (RI | AO AO)", dist, [1], [2, 3], dbcsr_type_real_8, sizes_RI, &
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| H A D | mp2_gpw.F | 199 TYPE(dbcsr_t_type) :: t_3c_M local
458 mat_3c_overl_int, do_dbcsr_t, t_3c_overl_int, t_3c_M, t_3c_O, &
478 … mat_3c_overl_int, do_dbcsr_t, t_3c_overl_int, t_3c_M, t_3c_O, mat_3c_overl_int_mao_for_occ, &
643 … mat_3c_overl_int, do_dbcsr_t, t_3c_overl_int, t_3c_M, t_3c_O, starts_array_mc_t, &
664 mat_3c_overl_int, do_dbcsr_t, t_3c_overl_int, t_3c_M, t_3c_O, &
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| H A D | rpa_util.F | 1832 mat_3c_overl_int_mao_for_virt_cut, t_3c_overl_int, t_3c_M, t_3c_O, & argument
1875 TYPE(dbcsr_t_type) :: t_3c_M local
1981 CALL dbcsr_t_destroy(t_3c_M)
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