Version 1.1.0

Parallelization with MPI

Random structure generation using MPI has been available.

See also

• Tutorial > Random structure generation with MPI
• Features > Structure generation with MPI parallelization

LAQA

Updated score formula to take into account the stress term (T. Yamashita and H. Sekine, Sci. Technol. Adv. Mater. Meth. 2, 84 (2022).).

See also

• Tutorial > LAQA
• Input file > [LAQA] section
• CrySPY Utility > Examples > qe_Si16_LAQA

Backup

Files are copied to the directory named by the date and time in “backup” directory.
See features/backup in detail.