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Version.2.2.1

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@syamada0 syamada0 released this 31 May 03:53
· 38 commits to develop-2.0.0 since this release
v.2.2.1
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Release 2.2.1

Major Features

  • No major changes.

Minor changes and bugfixes.

  • SALMON v.2.2.1 supports the GPU acceleration for DFT/TDDFT computation by OpenACC (Nvidia HPC SDK v23.11 is verified).
  • SALMON v.2.2.1 supports the preconditioning of the CG method for accelerating the DFT computation (yn_preconditioning).
  • SALMON v.2.2.1 supports compilation by GNU Compiler Collection (GCC).
  • SALMON v.2.2.1 supports an option to read a .cube file of the initial electron density for accelerating the DFT computation (method_init_density='read_dns_cube’).
  • Some other input variables are added.
  • Some minor bugs are fixed.
    see the manual for details:
    https://salmon-tddft.jp/webmanual/v_2_2_1/html/release_log.html

Thanks for Contributors

S. Yamada
M. Uemoto
T. Takeuchi
M. Noda
Metro Inc.
and many people at SALMON-TDDFT project:
https://salmon-tddft.jp/about.html#List_of_developers

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