FIRE optimization algorism need to be improved

[QuantumMisaka]

Details

As #3558, the BFGS is correct and have good efficiency now, but FIRE algorism is still lack of efficiency.

ASE also have FIRE algorism, we can take it as a reference

Task list for Issue attackers (only for developers)

• Reproduce the performance issue on a similar system or environment.
• Identify the specific section of the code causing the performance issue.
• Investigate the issue and determine the root cause.
• Research best practices and potential solutions for the identified performance issue.
• Implement the chosen solution to address the performance issue.
• Test the implemented solution to ensure it improves performance without introducing new issues.
• Optimize the solution if necessary, considering trade-offs between performance and other factors (e.g., code complexity, readability, maintainability).
• Review and incorporate any relevant feedback from users or developers.
• Merge the improved solution into the main codebase and notify the issue reporter.

[WHUweiqingzhou]

Thanks for your suggestion!