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SimonEnsemble
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PorousMaterials.jl
Julia package towards classical molecular modeling of nanoporous materials
GNU General Public License v3.0
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Viz
#153
Closed
SimonEnsemble
closed
3 years ago
SimonEnsemble
commented
4 years ago
allow to change
PATH_TO_DATA
allow
write_cube
to write in length units of Bohr for other software
add example in
viz
for visualization via
py3Dmol
PATH_TO_DATAwrite_cubeto write in length units of Bohr for other softwarevizfor visualization viapy3Dmol