Releases: Ionizing/rsgrad
Releases · Ionizing/rsgrad
Add POSCAR option & bugfix
- When the system contains constraints, a POSCAR is needed, or the max forces info would be incorrect.
- fixed bug that when OUTCAR contains "Primitive cell",
rsgrad
may fail.
Several bugfixes
- fix parse_cputime failure with large number
- fix parse_efermi failure with large number
- fix force size calculation error
New UI more functions
0.2 Update release-binaries.yml