Home
last modified time | relevance | path

Searched refs:soc_elem (Results 1 – 2 of 2) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dxas_tdp_utils.F2525 REAL(dp) :: soc_elem local
2557 soc_elem = 0.0_dp
2561soc_elem = soc_elem + pref_diaga*SUM(diag(1:ndo_mo)) + pref_diagb*(SUM(diag(ndo_mo + 1:ndo_so)))
2566 soc_elem = soc_elem &
2574 soc_elem = soc_elem + pref_diags*SUM(diag)
2579 pblock = soc_elem
2635 soc_elem = 0.0_dp
2639 soc_elem = soc_elem + SUM(diag)
2644 soc_elem = soc_elem + pref_trace*SUM(pblock*TRANSPOSE(domo_soc))
2648 soc_elem = soc_elem + pref_diags*SUM(diag)
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dxas_tdp_utils.F3542 REAL(dp) :: soc_elem local
3574 soc_elem = 0.0_dp
3578soc_elem = soc_elem + pref_diaga*SUM(diag(1:ndo_mo)) + pref_diagb*(SUM(diag(ndo_mo + 1:ndo_so)))
3583 soc_elem = soc_elem &
3591 soc_elem = soc_elem + pref_diags*SUM(diag)
3596 pblock = soc_elem
3652 soc_elem = 0.0_dp
3656 soc_elem = soc_elem + SUM(diag)
3661 soc_elem = soc_elem + pref_trace*SUM(pblock*TRANSPOSE(domo_soc))
3665 soc_elem = soc_elem + pref_diags*SUM(diag)
[all …]