orb_present (reference) in projects: dports

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Searched refs:orb_present (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	qs_neighbor_lists.F	499 orb_present(ikind) = .TRUE. 502 orb_present(ikind) = .FALSE. 578 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 650 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 654 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 750 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius) 778 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius) 840 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius) 851 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 872 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) [all …]
H A D	kg_environment.F	`310 LOGICAL, ALLOCATABLE, DIMENSION(:) :: orb_present, tpot_present local 353 ALLOCATE (orb_present(nkind), tpot_present(nkind)) 364 orb_present(ikind) = .TRUE. 371 orb_present(ikind) = .FALSE. 378 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 407 CALL pair_radius_setup(orb_present, tpot_present, orb_radius, tpot_radius, pair_radius) 419 DEALLOCATE (orb_present, tpot_present)`
H A D	qs_tddfpt2_subgroups.F	`583 LOGICAL, ALLOCATABLE, DIMENSION(:) :: orb_present local 610 ALLOCATE (orb_present(nkinds)) 617 orb_present(ikind) = .TRUE. 620 orb_present(ikind) = .FALSE. 625 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 633 DEALLOCATE (atom2d, orb_present, orb_radius, pair_radius)`
H A D	mp2_gpw.F	`1116 LOGICAL, ALLOCATABLE, DIMENSION(:) :: orb_present local 1191 ALLOCATE (orb_present(nkind)) 1198 orb_present(ikind) = .TRUE. 1201 orb_present(ikind) = .FALSE. 1206 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 1219 DEALLOCATE (orb_present, orb_radius, pair_radius)`
H A D	energy_corrections.F	1661 LOGICAL, ALLOCATABLE, DIMENSION(:) :: orb_present, ppl_present, ppnl_present local 1687 ALLOCATE (orb_present(nkind), ppl_present(nkind), ppnl_present(nkind)) 1707 orb_present(ikind) = .TRUE. 1710 orb_present(ikind) = .FALSE. 1739 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 1745 CALL pair_radius_setup(orb_present, ppl_present, orb_radius, ppl_radius, pair_radius) 1751 CALL pair_radius_setup(orb_present, ppnl_present, orb_radius, ppnl_radius, pair_radius) 1760 DEALLOCATE (orb_present, ppl_present, ppnl_present)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	qs_neighbor_lists.F	500 orb_present(ikind) = .TRUE. 503 orb_present(ikind) = .FALSE. 579 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 651 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 655 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 751 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius) 779 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius) 841 CALL pair_radius_setup(orb_present, orb_present, c_radius, c_radius, pair_radius) 852 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 873 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) [all …]
H A D	qs_tddfpt2_subgroups.F	`560 LOGICAL, ALLOCATABLE, DIMENSION(:) :: orb_present local 587 ALLOCATE (orb_present(nkinds)) 594 orb_present(ikind) = .TRUE. 597 orb_present(ikind) = .FALSE. 602 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 610 DEALLOCATE (atom2d, orb_present, orb_radius, pair_radius)`
H A D	kg_environment.F	`440 LOGICAL, ALLOCATABLE, DIMENSION(:) :: orb_present, tpot_present local 483 ALLOCATE (orb_present(nkind), tpot_present(nkind)) 494 orb_present(ikind) = .TRUE. 501 orb_present(ikind) = .FALSE. 508 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 537 CALL pair_radius_setup(orb_present, tpot_present, orb_radius, tpot_radius, pair_radius) 549 DEALLOCATE (orb_present, tpot_present)`
H A D	kg_energy_corrections.F	839 LOGICAL, ALLOCATABLE, DIMENSION(:) :: orb_present, ppl_present, ppnl_present local 865 ALLOCATE (orb_present(nkind), ppl_present(nkind), ppnl_present(nkind)) 885 orb_present(ikind) = .TRUE. 888 orb_present(ikind) = .FALSE. 917 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 923 CALL pair_radius_setup(orb_present, ppl_present, orb_radius, ppl_radius, pair_radius) 929 CALL pair_radius_setup(orb_present, ppnl_present, orb_radius, ppnl_radius, pair_radius) 938 DEALLOCATE (orb_present, ppl_present, ppnl_present)
H A D	mp2_gpw.F	1222 LOGICAL, ALLOCATABLE, DIMENSION(:) :: orb_present local 1299 ALLOCATE (orb_present(nkind)) 1306 orb_present(ikind) = .TRUE. 1309 orb_present(ikind) = .FALSE. 1314 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) 1327 DEALLOCATE (orb_present, orb_radius, pair_radius) 1437 ALLOCATE (orb_present(nkind)) 1449 orb_present(ikind) = .TRUE. 1452 orb_present(ikind) = .FALSE. 1457 CALL pair_radius_setup(orb_present, orb_present, orb_radius, orb_radius, pair_radius) [all …]