Searched defs:updateCharges (Results 1 – 3 of 3) sorted by relevance
| /dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_dftb/ |
| H A D | thirdorder.F90 | 68 procedure :: updateCharges method
197 subroutine updateCharges(this, species, neighList, qq, q0, img2CentCell, orb) subroutine
200 class(ThirdOrder), intent(inout) :: this
203 integer, intent(in) :: species(:)
206 type(TNeighbourList), intent(in) :: neighList
209 real(dp), intent(in) :: qq(:,:,:)
212 real(dp), intent(in) :: q0(:,:,:)
215 integer, intent(in) :: img2CentCell(:)
218 type(TOrbitals), intent(in) :: orb
220 real(dp), allocatable :: chargesPerShell(:,:)
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| H A D | scc.F90 | 229 procedure :: updateCharges method
541 subroutine updateCharges(this, env, qOrbital, q0, orb, species) subroutine
566 end subroutine updateCharges argument
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| /dports/net/xisp/xisp-2.7p4/ |
| H A D | xisp.c | 6197 void updateCharges(ptt_t *p) function
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