JoshuaSBrown / JoshuaSBrown/QC_Tools
terminate called after throwing an instance of 'std::invalid_argument' what(): stod
- Dominant language
- C++
- Stars
- 35
- Forks
- 15
- PR merge metrics
- No merged PRs in 30d
Description
kalyan@kalyan-Inspiron-3558:~/Computational/QC_Tools-master$ calc_J -p_1 GAUSSIANFILES/yellow_dimer_1stMonomer_TI.pun -p_2 GAUSSIANFILES/yellow_dimer_2ndMonomer_TI.pun -p_P GAUSSIANFILES/yellow_3rddimer_B3LYP.pun
Running calc_J VERSION 1.5
log file for first monomer is: GAUSSIANFILES/yellow_dimer_1stMonomer_TI.log
log file for second monomer is: GAUSSIANFILES/yellow_dimer_2ndMonomer_TI.log
log file for dimer is: GAUSSIANFILES/yellow_3rddimer_B3LYP.log
pun file for the first monomer is: GAUSSIANFILES/yellow_dimer_1stMonomer_TI.pun
pun file for the second monomer is: GAUSSIANFILES/yellow_dimer_2ndMonomer_TI.pun
pun file for the dimer is: GAUSSIANFILES/yellow_3rddimer_B3LYP.pun
terminate called after throwing an instance of 'std::invalid_argument'
what(): stod
I got the following error message while running the code? What might be the possible reason?
Contributor guide
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Research direction
Start with the calc_J entry point and reproduce the command using the three .pun files shown in the report. Trace which input is processed immediately before the std::invalid_argument from stod; done means identifying the offending input or parsing condition and documenting a reproducible diagnosis or fix location.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- cpp
- Domain
- cli
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100