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NWChem: v6.0 with fixed-width mass-weighted Hessian
Before a fix, cclib/cclib@110292d gives $ ccget --list NWChem/NWChem6.0/dvb_ir_hf.out Attempting to read NWChem/NWChem6.0/dvb_ir_hf.out [NWChem NWChem/NWChem6.0/dvb_ir_hf.out ERROR] Encountered error when parsing. [NWChem NWChem/NWChem6.0/dvb_ir_hf.out ERROR] Last line read: 3 3.97190D-14-2.57643D-15 1.69348D+01 Traceback (most recent call last): File "/usr/bin/ccget", line 8, in <module> sys.exit(ccget()) ^^^^^^^ File "/usr/lib/python3.12/site-packages/cclib/scripts/ccget.py", line 182, in ccget data = ccread(filename, **kwargs) ^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/usr/lib/python3.12/site-packages/cclib/io/ccio.py", line 185, in ccread return log.parse() ^^^^^^^^^^^ File "/usr/lib/python3.12/site-packages/cclib/parser/logfileparser.py", line 156, in parse self.extract(self.inputfile, line) File "/usr/lib/python3.12/site-packages/cclib/parser/nwchemparser.py", line 1158, in extract vals = [utils.float(x) for x in tokens[1:]] ^^^^^^^^^^^^^^ File "/usr/lib/python3.12/site-packages/cclib/parser/utils.py", line 76, in float return _BUILTIN_FLOAT(number.replace("D", "E")) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ ValueError: could not convert string to float: '3.97190E-14-2.57643E-15'
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