sci-form-0.15.2
Platform
Feature flags

docs.rs

Rust

sci-form 0.15.2

High-performance 3D molecular conformer generation using ETKDG distance geometry

Crate
Source
Builds
Feature flags

..
analysis
benchmarks
debug
experimental
fixtures
integration
regression
alpha_cross_method.rs
alpha_dft_validation.rs
alpha_dynamics_conservation.rs
alpha_mlff_consistency.rs
alpha_reaction_dynamics_3d.rs
alpha_reaxff_validation.rs
alpha_scf_eri_accuracy.rs
analysis.rs
benchmarks.rs
check_atom_counts.rs
ci.rs
debug.rs
e3_justification.rs
reaction_battery.rs
reaction_dynamics_study.rs
regression.rs
test_smirks_reactions.rs

1
2

#[path = "analysis/compare_bounds.rs"]
mod compare_bounds;