| /dports/science/py-pyscf/pyscf-2.0.1/pyscf/agf2/ |
| H A D | aux.py | 45 def __init__(self, energy, coupling, chempot=0.0): argument
94 def get_array(self, phys, out=None, chempot=0.0): argument
131 def dot(self, phys, vec, out=None, chempot=0.0): argument
175 def eig(self, phys, out=None, chempot=0.0): argument
327 def make_rdm1(self, phys, chempot=None, occupancy=2): argument
418 def make_rdm1(self, chempot=None, occupancy=2): argument
471 def davidson(auxspc, phys, chempot=None, nroots=1, which='SM', tol=1e-14, maxiter=None, ntrial=None… argument
|
| /dports/science/siesta/siesta-4.1.5/Src/ |
| H A D | chempot.F | 28 subroutine chempot(h,s,numh,listhptr,listh,rcoor,pmax,beta, subroutine
435 30 continue
488 40 continue
|
| /dports/science/latte/LATTE-1.2.2/MATRIX/ |
| H A D | F_sp2fermi.cu | 26 …void *h_pointer, void *hup, void *hdown, void *maxminusmin, void *chempot, int *norecs, void *sign… in sp2fermi_gpu_()
|
| H A D | SP2Fermi.cu | 63 REAL chempot=*chempot_pointer; in sp2fermi_nospin() local
|
| /dports/science/qmcpack/qmcpack-3.11.0/src/QMCHamiltonians/ |
| H A D | SpaceGrid.h | 85 bool chempot; variable
|
| /dports/science/ergo/ergo-3.8/source/matrix/ |
| H A D | TC2.h | 317 Treal chempot = bisection(fermifun, (Treal)0, (Treal)1, tol); in fermi_level() local
|
| /dports/science/dftbplus/dftbplus-19.1/prog/dftb+/lib_extlibs/ |
| H A D | negf_int.F90 | 1771 & cellVec, rCellVec, orb, kPoints, kWeights, coord0, species0, speciesName, chempot, & argument
1830 real(dp), intent(in) :: chempot(:,:) variable
|