File size: 342 Bytes
74e10df | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 | SimulationType MonteCarlo
NumberOfCycles 0
Forcefield ExampleZeolitesForceField
Framework 0
FrameworkName TON
UnitCells 1 1 1
ComputePowderDiffractionPattern yes
DiffractionType Xray
DiffractionRadiationType Copper
WaveLengthType single
TwoThetaMin 1
TwoThetaMax 50
TwoThetaStep 0.02
PeakShape PseudoVoigt
PeakWidthModifierU 0.005
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