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@uemoto1 uemoto1 released this May 21, 2019 · 2 commits to develop since this release

Release 1.2.1

Major Features

  • No major changes

Bug Fixes and Other Changes

  • Implementation of periodic boundary condition in FDTD calculation
  • Implementation of linear response option in FDTD calculation
  • Modified example files
  • Fixed bug in pseudopotential (in the case that two or more species of atom are used with periodic boundary condition)
  • Fixed many minor bugs ...

Thanks for Contributors

This release contains contributions from the developers as well:

  • Y. Hirokawa
  • M. Noda
  • S. A. Sato
  • T. Takeuchi
  • M. Uemoto
  • K. Yabana
  • A. Yamada
  • S. Yamada

and many people at SALMON-TDDFT project:
https://salmon-tddft.jp/about.html#List_of_developers

Assets 2

@uemoto1 uemoto1 released this Oct 25, 2018 · 123 commits to develop since this release

Release 1.2.0

Major Features

  • FDTD for classical electromagnetic problems

Bug Fixes and Other Changes

  • Implementation of function of temperature in the isolated system calculation
  • Implementation of FFTE support for isolated system calculation
  • Implementation of unified pseudopotential routine
  • Fixed strange runtime errors in several environments
  • Fixed runtime errors in single process (non-MPI) environments
  • Fixed reduction problems in parallel environments
  • Fixed NaN problem in total energy calculations
  • Fixed header of XXX_rt_energy.data
  • Fixed many minor bugs ...

Thanks for Contributors

This release contains contributions from the developers as well:

  • Y. Hirokawa
  • M. Noda
  • S. A. Sato
  • T. Takeuchi
  • M. Uemoto
  • K. Yabana
  • A. Yamada
  • S. Yamada

and many people at SALMON-TDDFT project:
https://salmon-tddft.jp/about.html#List_of_developers

Assets 2

@uemoto1 uemoto1 released this Jul 12, 2018 · 226 commits to develop since this release

Release 1.1.0

Major Features

  • Libxc support for exchange-correlation
  • Domain parallel option for the periodic boundary condition
  • Structure optimization for the isolated boundary condition

Bug Fixes and Other Changes

  • Add option for a function of optical near fields

  • Analysis options: transition moment, transition difference density, no-update of Hamiltonian

  • Performance Improvement (OpenACC, AVX-512, etc ...)

  • Unified Broyden subroutines

  • Slowdown problem due to the energy calculation

  • Upgrade MD option and some relating modifications

  • Upgrade restart options (MD, rt_wfn_k, etc...)

  • Upgrade GNU makefiles and support for MacOS

  • Upgrade regression tests

  • Fix many bugs ...

Thanks for Contributors

This release contains contributions from the developers as well:

  • Y. Hirokawa
  • M. Noda
  • S. A. Sato
  • T. Takeuchi
  • M. Uemoto
  • K. Yabana
  • A. Yamada
  • S. Yamada

and many people at SALMON-TDDFT project:
https://salmon-tddft.jp/about.html#List_of_developers

Assets 2

@uemoto1 uemoto1 released this Nov 20, 2017 · 506 commits to develop since this release

Merge pull request #243 from uemoto1/pr_version

Modify the Version to 1.0.0
Assets 2

@uemoto1 uemoto1 released this Jun 13, 2017 · 786 commits to master since this release

This is the first official version.

Assets 2
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