Searched refs:greendens (Results 1 – 5 of 5) sorted by relevance
/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_extlibs/ |
H A D | negf_int.F90 | 158 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 …]
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/dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_dftbplus/ |
H A D | parser.F90 | 153 & 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 …]
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H A D | inputdata.F90 | 491 type(TNEGFGreenDensInfo) :: greendens !NEGF solver section informations component
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H A D | initprogram.F90 | 1806 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, &
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H A D | main.F90 | 1243 call negf_init_str(denseDescr, transpar, ginfo%greendens, neighbourList%iNeighbour,&
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