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molcrafts-molpack-0.1.0
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molcrafts-molpack 0.1.0
Faithful Rust port of Packmol molecular packing (split off from molrs)
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..
bin
constraints
context
gencan
relaxer
restraint
script
assemble.rs
cases.rs
cell.rs
error.rs
euler.rs
frame.rs
handler.rs
initial.rs
lib.rs
movebad.rs
numerics.rs
objective.rs
packer.rs
random.rs
region.rs
target.rs
validation.rs