Describe the feature / issue
A new module to assess the (atomic) number, mass, or scattering length density over voxels in the unit cell would be very useful in determining, for instance, wall density in porous amorphous materials, or general condensed phases.
Restricting to specific Species may also be a useful option.
Describe the feature / issue A new module to assess the (atomic) number, mass, or scattering length density over voxels in the unit cell would be very useful in determining, for instance, wall density in porous amorphous materials, or general condensed phases.
Restricting to specific
Speciesmay also be a useful option.