Version 1.2.1

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

Version 1.2.0

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

Version 1.1.0

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

Version 1.0.0

Merge pull request #243 from uemoto1/pr_version

Modify the Version to 1.0.0

Version 0.0.1

This is the first official version.