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Add-output-flag #24

Merged

kohei-noda-qcrg merged 5 commits into main from add-output-flag

Jun 21, 2023

Member

kohei-noda-qcrg commented Jun 21, 2023

Add -o, --output option
- This option is optional, if you don't specify this option, the name of output is (-m or --mol option).out
  (e.g.)
```
sum_dirac_dfcoef -i H2_H2.out -m H2
> output file name: H2.out
```

kohei-noda-qcrg added 5 commits

June 21, 2023 23:59


          Update yml

04efd69


          Rename test

04fd414


          Add -o, --output option

ac145a3


          Fix usage

a25fc69


          Delete elements from parse_molecule_input

kohei-noda-qcrg merged commit 5e2b2cc into main

kohei-noda-qcrg deleted the add-output-flag branch

June 21, 2023 15:44

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