INPUT FOR RMC_POT | |||
Number of atom types | |||
Number of GR Experiments | |||
Number of Neutron Diffraction Experiments | |||
Number of X-ray Diffraction Experiments | |||
Number of Electron Diffraction Experiments | |||
Number of EXAFS Experiments | |||
Number of Cosine Distribution of Bond Angle Constraints | |||
Number of Coordination Constraints | |||
Number of Average Coordination Constraints | |||
Number of Common Neighbour Constraints | |||
Number of Second Neighbour Constraints | |||
Whether to use bonded potential | |||
Whether to use non-bonded potential | |||
Index of the leading series for the scalable sigma calculation | |||
Maximum value for the leading series for chi2 calculation | |||
Maximum value for the leading potential series for chi2 calculation |