molcrafts-molpack-0.1.0
- molcrafts-molpack 0.1.0
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- Docs.rs crate page
- BSD-3-Clause
- 04 July 2026
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- Owners
- Roy-Kid
- Dependencies
- clap ^4 normal optional
  libm ^0.2 normal
  log ^0.4 normal
  molcrafts-molrs ^0.6.0 normal
  ndarray ^0.17 normal
  rand ^0.9 normal
  rayon ^1.11 normal optional
  criterion ^0.5 dev
  env_logger ^0.11 dev
- Versions
- 64.7% of the crate is documented
Platform
- x86_64-unknown-linux-gnu
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compute_dmax

molpack0.1.0

In molpack::initial

molpack::initial

Function compute_dmax

pub fn compute_dmax(sys: &mut PackContext)

Expand description

Compute maximum internal distance per molecule type.