SimonEnsemble / PorousMaterials.jl

Julia package towards classical molecular modeling of nanoporous materials
GNU General Public License v3.0
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return porosity in grid accessibility function; allow flexibility in units #83

Closed SimonEnsemble closed 5 years ago

SimonEnsemble commented 5 years ago

1) return porosity in grid accessibility computation, both b4 and after accessibility blocking. 2) allow different units in accessibility grid function, both kJ/mol and K, for clarity and flexibility.