| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | hfx_load_balance_methods.F | 167 jatom_end, jatom_start, katom_block, katom_end, katom_start, latom_block, latom_end, & local
431 jatom_end = x_data%blocks(jatom_block)%iend
490 jatom_end = x_data%blocks(jatom_block)%iend
590 jatom_end = x_data%blocks(jatom_block)%iend
613 iatom_start, iatom_end, jatom_start, jatom_end, &
948 INTEGER :: handle, i, iatom_block, iatom_end, iatom_start, j, jatom_block, jatom_end, & local
1035 jatom_end = x_data%blocks(jatom_block)%iend
1307 jatom_end = x_data%blocks(jatom_block)%iend
1341 iatom_start, iatom_end, jatom_start, jatom_end, &
1964 iatom_start, iatom_end, jatom_start, jatom_end, &
[all …]
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| H A D | hfx_pair_list_methods.F | 567 ikind, jatom, jatom_end, jatom_start, & local
579 jatom_end = blocks(jblock)%iend
585 DO jatom = jatom_start, jatom_end
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| H A D | hfx_derivatives.F | 130 iatom_end, iatom_start, ikind, iset, iw, j, j_atom, jatom, jatom_block, jatom_end, & local
823 jatom_end = actual_x_data%blocks(jatom_block)%iend
824 …ock(iatom_block, jatom_block) = MAXVAL(shm_pmax_atom(iatom_start:iatom_end, jatom_start:jatom_end))
919 jatom_end = actual_x_data%blocks(jatom_block)%iend
933 jatom_start, jatom_end, &
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| H A D | hfx_energy_potential.F | 160 iset, iw, j, jatom, jatom_block, jatom_end, jatom_start, jkind, jset, katom, katom_block, & local
1058 jatom_end = actual_x_data%blocks(jatom_block)%iend
1059 …ock(iatom_block, jatom_block) = MAXVAL(shm_pmax_atom(iatom_start:iatom_end, jatom_start:jatom_end))
1150 jatom_end = actual_x_data%blocks(jatom_block)%iend
1164 jatom_start, jatom_end, &
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| H A D | mp2_direct_method.F | 120 index_proc_ij, index_proc_shift, iset, jatom, jatom_end, jatom_start, jjB, jkind, jset, & local
227 jatom_end = natom
234 jatom_start, jatom_end, &
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| H A D | mp2_ri_libint.F | 437 jatom_end, jatom_start, jjB, jkind, jset, katom, katom_end, katom_start, kkB, kkind, & local
726 jatom_end = natom
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | hfx_load_balance_methods.F | 164 jatom_end, jatom_start, katom_block, katom_end, katom_start, latom_block, latom_end, & local
428 jatom_end = x_data%blocks(jatom_block)%iend
487 jatom_end = x_data%blocks(jatom_block)%iend
587 jatom_end = x_data%blocks(jatom_block)%iend
610 iatom_start, iatom_end, jatom_start, jatom_end, &
945 INTEGER :: handle, i, iatom_block, iatom_end, iatom_start, j, jatom_block, jatom_end, & local
1032 jatom_end = x_data%blocks(jatom_block)%iend
1304 jatom_end = x_data%blocks(jatom_block)%iend
1338 iatom_start, iatom_end, jatom_start, jatom_end, &
1954 iatom_start, iatom_end, jatom_start, jatom_end, &
[all …]
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| H A D | hfx_pair_list_methods.F | 567 ikind, jatom, jatom_end, jatom_start, & local
579 jatom_end = blocks(jblock)%iend
585 DO jatom = jatom_start, jatom_end
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| H A D | hfx_derivatives.F | 134 iatom_end, iatom_start, ikind, iset, iw, j, j_atom, jatom, jatom_block, jatom_end, & local
829 jatom_end = actual_x_data%blocks(jatom_block)%iend
830 …ock(iatom_block, jatom_block) = MAXVAL(shm_pmax_atom(iatom_start:iatom_end, jatom_start:jatom_end))
925 jatom_end = actual_x_data%blocks(jatom_block)%iend
939 jatom_start, jatom_end, &
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| H A D | hfx_energy_potential.F | 160 iset, iw, j, jatom, jatom_block, jatom_end, jatom_start, jkind, jset, katom, katom_block, & local
1058 jatom_end = actual_x_data%blocks(jatom_block)%iend
1059 …ock(iatom_block, jatom_block) = MAXVAL(shm_pmax_atom(iatom_start:iatom_end, jatom_start:jatom_end))
1150 jatom_end = actual_x_data%blocks(jatom_block)%iend
1164 jatom_start, jatom_end, &
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| H A D | mp2_direct_method.F | 120 index_proc_ij, index_proc_shift, iset, jatom, jatom_end, jatom_start, jjB, jkind, jset, & local
227 jatom_end = natom
234 jatom_start, jatom_end, &
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| H A D | mp2_ri_libint.F | 437 jatom_end, jatom_start, jjB, jkind, jset, katom, katom_end, katom_start, kkB, kkind, & local
726 jatom_end = natom
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