AiiDA workflow for SOAP fingerprinting using QUIP/quippy
This plugin requires:
glosim2 should be installed automatically via git submodule
QUIP and quippy must be installed in the path and be available in the same python environment as AiiDA
| Name | Name | Last commit date | ||
|---|---|---|---|---|
AiiDA workflow for SOAP fingerprinting using QUIP/quippy
This plugin requires:
glosim2 should be installed automatically via git submodule
QUIP and quippy must be installed in the path and be available in the same python environment as AiiDA