Fix: enhance several warning messages

[sunliang98]

Reminder

• Have you linked an issue with this pull request?
• Have you added adequate unit tests and/or case tests for your pull request?
• Have you noticed possible changes of behavior below or in the linked issue?
• Have you explained the changes of codes in core modules of ESolver, HSolver, ElecState, Hamilt, Operator or Psi? (ignore if not applicable)

Linked Issue

Fix #...

Unit Tests and/or Case Tests for my changes

• A unit test is added for each new feature or bug fix.

What's changed?

• Add override to Pot_ML_EXX::cal_v_eff to avoid compilation warning.
• Provide a clearer, friendlier error when ML KEDF is used without ENABLE_MLALGO.
• Add validation for out_elf and spin=4 combo.

Any changes of core modules? (ignore if not applicable)

• Example: I have added a new virtual function in the esolver base class in order to ...