fix dplr: correct type check in get_valid_pairs

[Yi-FanLi]

The binary_search method in C++ is only valid for sorted vectors.
The following case in "type_associate" of "fix dplr" will raise error: 4 5 3 6. 4 and 3 are real atom types and stored in sel_type. The vector sel_type is sorted. 5 and 6 are associated with 4 and 3, respectively. The resulting sel_type vector is 3 4, and the resulting dpl_type vector is 6 5. If a pair 4 5 is searched, then this line

deepmd-kit/source/lmp/fix_dplr.cpp

Lines 195 to 196 in e7d68c1

	binary_search(dpl_type.begin(), dpl_type.end(),
	dtype[bondlist[ii][1]])) {

will do binary search for 4 in 3 4, which results in True; and will search for 5 in 6 5, which results in False.

Therefore, I am copying dpl_type vector to the dpl_type_sorted vector and sort it. The binary search should be used on the sorted vector.

The above solution is abandoned.

In stead, do not use binary_search in the type check of get_valid_pairs.
The current method is: first find the type of the real atom, and check if the type of its bonded atom is consistent with that defined by type_associate.

[codecov]

Codecov Report

Patch coverage: 48.27% and project coverage change: -0.02 ⚠️

Comparison is base (0d732ad) 76.67% compared to head (ff1de55) 76.66%.

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #2580      +/-   ##
==========================================
- Coverage   76.67%   76.66%   -0.02%     
==========================================
  Files         233      233              
  Lines       24158    24175      +17     
  Branches     1710     1697      -13     
==========================================
+ Hits        18524    18533       +9     
- Misses       4507     4519      +12     
+ Partials     1127     1123       -4     

Impacted Files	Coverage Δ
source/lmp/fix_dplr.cpp	77.74% <48.27%> (-1.84%)	⬇️

... and 3 files with indirect coverage changes

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