lmp: improve error message when compute/fix is not found

[njzjz]

Summary by CodeRabbit

• Bug Fixes
  • Enhanced error handling to ensure required computes or fixes are present before proceeding with operations, improving robustness and reliability.

[coderabbitai]

Walkthrough

The recent updates to the PairDeepMD class in the LAMMPS project introduce error handling to ensure the presence of necessary computes or fixes before executing key functions. This enhancement adds robustness by generating error messages if required components are missing, thereby preventing potential runtime issues and improving overall reliability.

Changes

File Path	Change Summary
.../pair_deepmd.cpp	Added error handling to make_fparam_from_compute to check for the presence of a compute based on compute_fparam_id.
.../pair_deepmd.cpp	Added error handling to make_aparam_from_compute to check for the presence of a compute based on compute_aparam_id.
.../pair_deepmd.cpp	Added error handling to make_ttm_fparam to check for the presence of a fix based on ttm_fix_id.
.../pair_deepmd.cpp	Added error handling to make_ttm_aparam to check for the presence of a fix based on ttm_fix_id.

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[codecov]

Codecov Report

Attention: Patch coverage is 0% with 8 lines in your changes missing coverage. Please review.

Project coverage is 82.51%. Comparing base (8a359db) to head (2a1be58).
Report is 134 commits behind head on devel.

Files	Patch %	Lines
source/lmp/pair_deepmd.cpp	0.00%	8 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #3801      +/-   ##
==========================================
- Coverage   82.52%   82.51%   -0.02%     
==========================================
  Files         516      516              
  Lines       48956    48964       +8     
  Branches     2981     2985       +4     
==========================================
  Hits        40401    40401              
- Misses       7644     7652       +8     
  Partials      911      911              

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