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Question: the second parameter for `out_mat_hs` and the use of `out_ndigits`

Open dyzheng opened this issue 1 year ago • 1 comments

Details

https://github.com/deepmodeling/abacus-develop/blob/develop/tests/integrate/207_NO_KP_OH/INPUT#L28

https://github.com/deepmodeling/abacus-develop/blob/develop/tests/integrate/207_NO_KP_OH/INPUT#L30

out_mat_hs  1 5
ks_solver       scalapack_gvx
out_ndigits 5
  1. I want to know if the second parameter of out_mat_hs is different with out_ndigits, what will happen?

  2. Why only out_band and out_mat_hs have the second parameters, how about other output variables?

Have you read FAQ on the online manual http://abacus.deepmodeling.com/en/latest/community/faq.html

  • [X] Yes, I have read the FAQ part on online manual.

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dyzheng avatar May 07 '24 05:05 dyzheng

In the past the out_ndigits controls precision of output in a wider range, while out_mat_hs only controls precision of output of itself. I think all the output flags can be re-designed, after re-design of input.

kirk0830 avatar May 07 '24 10:05 kirk0830