Reference#

Public Rust types#

Type

Role

BandSession

Outer seam. new, step, run, reset, positions

BandConfig

Tangent, spring, projection, climbing, cell, tolerances, method

BandSurface

Host potential on a band (energies + gradients per image)

BandReport

status, max_force, ci_index, iteration

MinModeSession

Dimer or Lanczos lowest-mode search, same stepping contract

Cell

3×3 orthorhombic minimum-image wrap

SaddleError

Shape, surface, non-finite, solver, ABI

C ABI (feature capi)#

include/rgsaddle.h. RGSADDLE_ABI_MAJOR is 1. Status codes include RGSADDLE_OK, RGSADDLE_SHAPE, RGSADDLE_SURFACE_FAILED, RGSADDLE_ABI_MISMATCH. Methods on the wire: FIRE and L-BFGS. Min-mode kinds: dimer and Lanczos.

Tests that pin the contract#

  • tests/double_well.rs — band finds the origin saddle, endpoints pinned

  • tests/minmode_saddle.rs — dimer / Lanczos

  • tests/c_abi.rs — header and symbols with capi