Searched refs:zet_trans (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | lri_optimize_ri_basis.F | 469 REAL(KIND=dp), DIMENSION(:), POINTER :: zet, zet_trans local
473 NULLIFY (fbas, gcc_orig, npgf, nshell, zet_trans, zet)
477 ALLOCATE (zet_trans(nvar_exp))
483 CALL transfer_exp(lri_opt, zet, zet_init, zet_trans, nvar_exp)
485 zet_trans(:) = x(1:nvar_exp)**2.0_dp
493 zet_max = MAXVAL(zet_trans(n + 1:n + 2))
494 zet_min = MINVAL(zet_trans(n + 1:n + 2))
499 fbas%zet(1:npgf(iset), iset) = zet_trans(n + 1:n + npgf(iset))
525 DEALLOCATE (zet_trans)
536 SUBROUTINE transfer_exp(lri_opt, zet, zet_init, zet_trans, nvar) argument
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | lri_optimize_ri_basis.F | 469 REAL(KIND=dp), DIMENSION(:), POINTER :: zet, zet_trans local
473 NULLIFY (fbas, gcc_orig, npgf, nshell, zet_trans, zet)
477 ALLOCATE (zet_trans(nvar_exp))
483 CALL transfer_exp(lri_opt, zet, zet_init, zet_trans, nvar_exp)
485 zet_trans(:) = x(1:nvar_exp)**2.0_dp
493 zet_max = MAXVAL(zet_trans(n + 1:n + 2))
494 zet_min = MINVAL(zet_trans(n + 1:n + 2))
499 fbas%zet(1:npgf(iset), iset) = zet_trans(n + 1:n + npgf(iset))
525 DEALLOCATE (zet_trans)
536 SUBROUTINE transfer_exp(lri_opt, zet, zet_init, zet_trans, nvar) argument
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