# | Line 140 | Line 140 | module suttonchen | |
---|---|---|
140 | public :: do_SC_pair | |
141 | public :: newSCtype | |
142 | public :: calc_SC_prepair_rho | |
143 | + | public :: calc_SC_preforce_Frho |
144 | public :: clean_SC | |
145 | public :: destroySCtypes | |
146 | public :: getSCCut | |
# | Line 524 | Line 525 | contains | |
525 | pot = pot + u | |
526 | enddo | |
527 | ||
528 | < | #ifdef IS_MPI |
528 | > | #ifdef IS_MPI |
529 | !! communicate f(rho) and derivatives back into row and column arrays | |
530 | call gather(frho,frho_row,plan_atom_row, sc_err) | |
531 | if (sc_err /= 0) then |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |