abacusmodeling / abacus-develop

An electronic structure package based on either plane wave basis or numerical atomic orbitals.
GNU Lesser General Public License v3.0
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GenELPA upgrades to compatible with the latest version of ELPA #270

Closed pplab closed 1 year ago

pplab commented 1 year ago

Commits on Mar 28, 2023 are synchronized from https://gitee.com/deepmodeling/abacus-develop.git

Commits on Mar 30, 2023 are upgrades of GenELPA to adapt to the new interface of ELPA and were tested with ELPA 2021.11.002, 2022.05.001, and 2022.11.001.

The main codes of ELPA are written by FORTRAN, and it has a C interface. The interface function names changed in version 2021.11.001, 2022.05.001, and in version 2022.11.001, it finally has a C++ interface.

After this upgrade, GenELPA can use all recent versions of ELPA and later versions if the C++ interface keeps no change.