v1.9.12c

• fix a minor bug

v1.9.12b

• fix bugs (import)

v1.9.12

• Change the implementation to calculate the approximate Hessian (approx_hessian.py)
• Refactor

v1.9.11

• Refactor (trust_radius.py)

v1.9.10

• Refactor (neb.py)

v1.9.9b

• Refactor using Claude Sonnet 4 (neb.py)

v1.9.9

• Model Hessian available in nebmain.py (-modelhess)
• Fix bugs
• Refactor

v1.9.8

• improved NEB method using Hessian (nebmain.py, -fc xxx)
• delete a unused function (nebmain.py)

v1.9.7c

• You can define max trust radius (unit: angstrom) for geometry optimization (optmain.py, -tr xxx)
• refactor
• fix a bug

v1.9.6

• add the option for ECP setting of PySCF (-ecp)
• refactor