lmp: let fparam_do_compute not execute by default

[Yi-FanLi]

One should set the variable do_compute in pair_deepmd.cpp false by default, so that fparam can be used correctly. The current version will trigger the error

deepmd-kit/source/lmp/pair_deepmd.cpp

Lines 1044 to 1046 in 7da9aaf

	error->all(
	FLERR,
	"fparam and fparam_from_compute should NOT be set simultaneously");

unexpectedly.

[codecov]

Codecov Report

Patch coverage: 100.00% and project coverage change: -0.04% ⚠️

Comparison is base (7da9aaf) 75.52% compared to head (ce6e110) 75.49%.

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #2819      +/-   ##
==========================================
- Coverage   75.52%   75.49%   -0.04%     
==========================================
  Files         242      242              
  Lines       24162    24163       +1     
  Branches     1533     1533              
==========================================
- Hits        18249    18241       -8     
- Misses       4997     5006       +9     
  Partials      916      916              

Files Changed	Coverage Δ
source/lmp/pair_deepmd.cpp	53.20% <100.00%> (-1.02%)	⬇️

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