JoshuaSBrown / JoshuaSBrown/QC_Tools

terminate called after throwing an instance of 'std::invalid_argument' what(): stod

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Dominant language
C++
Stars
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Forks
15
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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

No contributing guide indexed for this repository

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

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