wqzhou

Results 64 comments of wqzhou

Feature: set default OpenMP parallel number to 1

@QuantumMisaka, any update?

ABACUS+DeePMD requires MPI parallelism

Looking forward to it.

Note: theoretical framework of COHP may have strong basis set dependence

Could you explain a little about your next plan?

FIRE optimization algorism need to be improved

Thanks for your suggestion!

Tests building doesn't build when ELPA version is 2023.05.001-1

@caic99, could you have a look?

Tests building doesn't build when ELPA version is 2023.05.001-1

@dyzheng could you have a look.

Tests building doesn't build when ELPA version is 2023.05.001-1

@Flying-dragon-boxing please see the solution in #3461

In the CI test some warning get different value between github test

@Zhuxuegang2022, Is there any update about this issue to share with us?

In the CI test some warning get different value between github test

closed due to #4493

Convergence Problem

@iduygnay have you tried this [notebook](https://ucoyxk075n.feishu.cn/docx/R0sqdk6T0o2RY4x5IWgcJ3RHnug)?