8 releases
new 0.1.8 | Apr 29, 2024 |
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0.1.7 | Apr 24, 2024 |
0.1.0 | Oct 29, 2023 |
#663 in Algorithms
774 downloads per month
Used in moyopy
500KB
13K
SLoC
Moyo (Rust)
The core implementation of Moyo in Rust
Crates.io: https://docs.rs/moyo/latest/moyo/ Document: https://docs.rs/moyo/latest/moyo/
Module dependency
math <- base <- data <- identify <- standardize <- lib
^---- search <--------------|
Goals
- Find symmetry operations of a given crystal structure, identify its crystallographic group, and symmetrize the given crystal structure
- Well-defined tolerance for finding symmetry operations
- No dependency on existing symmetry-finder packages
- Simplify crystal symmetry algorithm by extensively exploiting the group structures of crystallographic groups
Non-goals
- Crystallographic groups in other than three dimensions
- Matching two similar crystal structures
Dependencies
~7–35MB
~504K SLoC