Loading documentation/structure_factor_examples.yaml 0 → 100644 +108 −0 Original line number Diff line number Diff line # this is an example of using the hard sphere structure factor sphere: name: sphere Category: shape-sphere scale: fixed: [1.0] background: fixed: [0.001] sld: linear: [-0.56, 8.00] sld_solvent: linear: [-0.56, 6.38] radius: log: [1.0, 3.5] polydispersity: SchulzDispersion: [0.0, 0.40] Structure_Factor: name: hardsphere radius_effective: log: [1.0, 3.5] volfraction: linear: [0.0, 0.50] # this is an example of using the sticky hard sphere structure factor sphere: name: sphere Category: shape-sphere scale: fixed: [1.0] background: fixed: [0.001] sld: linear: [-0.56, 8.00] sld_solvent: linear: [-0.56, 6.38] radius: log: [1.0, 3.5] polydispersity: SchulzDispersion: [0.0, 0.40] Structure_Factor: name: stickyhardsphere radius_effective: log: [1.0, 3.5] volfraction: linear: [0.0, 0.50] perturb: linear: [0.01, 0.1] stickiness: linear: [0.0, 1.0] # this is an example of using the square well structure factor sphere: name: sphere Category: shape-sphere scale: fixed: [1.0] background: fixed: [0.001] sld: linear: [-0.56, 8.00] sld_solvent: linear: [-0.56, 6.38] radius: log: [1.0, 3.5] polydispersity: SchulzDispersion: [0.0, 0.40] Structure_Factor: name: squarewell radius_effective: log: [1.0, 3.5] volfraction: linear: [0.0, 0.50] welldepth: linear: [0.01, 0.1] wellwidth: linear: [1.0, 2.0] # this is an example of using the Hayter-Penfold charged sphere structure factor sphere: name: sphere Category: shape-sphere scale: fixed: [1.0] background: fixed: [0.001] sld: linear: [-0.56, 8.00] sld_solvent: linear: [-0.56, 6.38] radius: log: [1.0, 3.5] polydispersity: SchulzDispersion: [0.0, 0.40] Structure_Factor: name: hayter_msa radius_effective: log: [1.0, 3.5] volfraction: linear: [0.0, 0.50] charge: linear: [0.0, 20.0] temperature: linear: [273.15, 373.15] concentration_salt: linear: [0.0, 5.0] dielectconst: linear: [0.0, 100.0] No newline at end of file Loading
documentation/structure_factor_examples.yaml 0 → 100644 +108 −0 Original line number Diff line number Diff line # this is an example of using the hard sphere structure factor sphere: name: sphere Category: shape-sphere scale: fixed: [1.0] background: fixed: [0.001] sld: linear: [-0.56, 8.00] sld_solvent: linear: [-0.56, 6.38] radius: log: [1.0, 3.5] polydispersity: SchulzDispersion: [0.0, 0.40] Structure_Factor: name: hardsphere radius_effective: log: [1.0, 3.5] volfraction: linear: [0.0, 0.50] # this is an example of using the sticky hard sphere structure factor sphere: name: sphere Category: shape-sphere scale: fixed: [1.0] background: fixed: [0.001] sld: linear: [-0.56, 8.00] sld_solvent: linear: [-0.56, 6.38] radius: log: [1.0, 3.5] polydispersity: SchulzDispersion: [0.0, 0.40] Structure_Factor: name: stickyhardsphere radius_effective: log: [1.0, 3.5] volfraction: linear: [0.0, 0.50] perturb: linear: [0.01, 0.1] stickiness: linear: [0.0, 1.0] # this is an example of using the square well structure factor sphere: name: sphere Category: shape-sphere scale: fixed: [1.0] background: fixed: [0.001] sld: linear: [-0.56, 8.00] sld_solvent: linear: [-0.56, 6.38] radius: log: [1.0, 3.5] polydispersity: SchulzDispersion: [0.0, 0.40] Structure_Factor: name: squarewell radius_effective: log: [1.0, 3.5] volfraction: linear: [0.0, 0.50] welldepth: linear: [0.01, 0.1] wellwidth: linear: [1.0, 2.0] # this is an example of using the Hayter-Penfold charged sphere structure factor sphere: name: sphere Category: shape-sphere scale: fixed: [1.0] background: fixed: [0.001] sld: linear: [-0.56, 8.00] sld_solvent: linear: [-0.56, 6.38] radius: log: [1.0, 3.5] polydispersity: SchulzDispersion: [0.0, 0.40] Structure_Factor: name: hayter_msa radius_effective: log: [1.0, 3.5] volfraction: linear: [0.0, 0.50] charge: linear: [0.0, 20.0] temperature: linear: [273.15, 373.15] concentration_salt: linear: [0.0, 5.0] dielectconst: linear: [0.0, 100.0] No newline at end of file