Open dragonyanglong opened 6 years ago
In pdfstructure.py, getvar method can get the following values: pscale, spdiameter, stepcut, delta1, delta2, sratio, rcut, lat(n), where n = 1..6, x(i), y(i), z(i), occ(i), u11(i), u22(i), u33(i), u12(i), u13(i), u23(i), where i=1..Natoms
pdfstructure.py
sratio, rcut, 'stepcutare not available in PDFCalculator. Onlystepcutwhen useStepCutEnvelope` http://www.diffpy.org/diffpy.srreal/api/diffpy.srreal.html#module-diffpy.srreal.pdfcalculator
sratio
rcut
are not available in PDFCalculator. Only
when use
In
pdfstructure.py, getvar method can get the following values: pscale, spdiameter, stepcut, delta1, delta2, sratio, rcut, lat(n), where n = 1..6, x(i), y(i), z(i), occ(i), u11(i), u22(i), u33(i), u12(i), u13(i), u23(i), where i=1..Natomssratio,rcut, 'stepcutare not available in PDFCalculator. Onlystepcutwhen useStepCutEnvelope` http://www.diffpy.org/diffpy.srreal/api/diffpy.srreal.html#module-diffpy.srreal.pdfcalculator