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FIT6 = a total of 6 gaussian functions #20

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pierre-24 opened this issue Jan 4, 2023 · 0 comments
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FIT6 = a total of 6 gaussian functions #20

pierre-24 opened this issue Jan 4, 2023 · 0 comments
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documentation Improvements or additions to documentation enhancement New feature or request

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pierre-24 commented Jan 4, 2023 •
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Not "6 functions per valence" ;)

Thus, FIT6 is actually equivalent to FIT3 for, e.g., carbon.

Probably better to report [3s3p], thus.
@pierre-24 pierre-24 added the documentation Improvements or additions to documentation label Jan 4, 2023
@pierre-24 pierre-24 changed the title FIT6 = total of 6 gaussian function FIT6 = a total of 6 gaussian functions Jan 4, 2023
@pierre-24 pierre-24 added the enhancement New feature or request label Jan 24, 2023
pierre-24 added a commit that referenced this issue Feb 22, 2023
@pierre-24
change FIT auxiliary basis sets (fix #20)
2d58b7b
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