disorderedmaterials / dissolve

Structure refinement software for total scattering data
GNU General Public License v3.0
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Specify fractional coordinates for positions for global potentials #1913

Closed trisyoungs closed 1 month ago

trisyoungs commented 1 month ago

Describe the feature / issue Having the option to specify origin coordinates, e.g. for the LJCylinder directional potential, in fractional cell coordinates would be super nice!