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Searched refs:greendens (Results 1 – 5 of 5) sorted by relevance

/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_extlibs/
H A Dnegf_int.F90158 if (greendens%defined) then
179 else if (greendens%defined) then
186 if (greendens%defined) then
199 if (greendens%defined) then
257 if (greendens%defined) then
276 if (greendens%readSGF) then
280 if (.not.greendens%readSGF .and. .not.greendens%saveSGF) then
284 if (.not.greendens%readSGF .and. greendens%saveSGF) then
322 if (greendens%defined) then
549 nbl = greendens%nPLs
[all …]
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_dftbplus/
H A Dparser.F90153 & input%ginfo%greendens, input%poisson)
4050 greendens%defined = .true.
4059 greendens%oneFermi(2) = greendens%oneFermi(1)
4070 call readFirstLayerAtoms(pTmp, greendens%PL, greendens%nPLs,&
4083 allocate(greendens%kbT(1))
4084 greendens%kbT(:) = tempElec
4092 greendens%kbT(ii) = tempElec
4103 call getChildValue(pNode, "SaveSurfaceGFs", greendens%saveSGF, .not.greendens%readSGF)
4161 & 2 * greendens%nKT * maxval(greendens%kbT)))
4162 greendens%nP(3) = defvalue
[all …]
H A Dinputdata.F90491 type(TNEGFGreenDensInfo) :: greendens !NEGF solver section informations component
H A Dinitprogram.F901806 tLocalCurrents = input%ginfo%greendens%doLocalCurr
3391 associate(transpar=>input%transpar, greendens=>input%ginfo%greendens)
3420 mu(1,1:nSpinChannels) = greendens%oneFermi(1:nSpinChannels)
3457 call negf_init(input%transpar, input%ginfo%greendens, input%ginfo%tundos, env%mpi%globalComm,&
3460 call negf_init(input%transpar, input%ginfo%greendens, input%ginfo%tundos, &
H A Dmain.F901243 call negf_init_str(denseDescr, transpar, ginfo%greendens, neighbourList%iNeighbour,&