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Searched refs:my1_homo (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_cdft_methods.F157 my1, my1_homo, myexp, sum_cell_f_all, & local
406 my1_homo = my1 ! Homonuclear quantity needed for gradient
420 tmp_const = 1.0_dp - 2.0_dp*my1_homo* &
H A Dmixed_cdft_methods.F3559 REAL(kind=dp) :: dist1, dist2, dmyexp, my1, my1_homo, & local
3991 my1_homo = my1
4004 … tmp_const = 1.0_dp - 2.0_dp*my1_homo*cdft_control%becke_control%aij(iatom, jatom)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_cdft_methods.F156 my1, my1_homo, myexp, sum_cell_f_all, & local
405 my1_homo = my1 ! Homonuclear quantity needed for gradient
419 tmp_const = 1.0_dp - 2.0_dp*my1_homo* &
H A Dmixed_cdft_methods.F3551 REAL(kind=dp) :: dist1, dist2, dmyexp, my1, my1_homo, & local
3983 my1_homo = my1
3996 … tmp_const = 1.0_dp - 2.0_dp*my1_homo*cdft_control%becke_control%aij(iatom, jatom)