Hello,
I defined some new bond types in bondtyp.txt file and the compilation was done
successfully and obenergy also worked well.
For instance, it recognizes the atom type for hypervalent phosphorous in
different molecules more accurate.
However, the test number 38 related to test_gzip_1 failed afterward.
Start 38: test_gzip_1
38/145 Test #38: test_gzip_1 ......................***Failed 0.27 sec
Any comments?
Cheers,
Mohammad
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