Fixes Continue from Last Run and Implements Geoms File

This commit is contained in:
2023-06-10 23:56:57 -03:00
parent d0be244d3c
commit 8bed68c451
6 changed files with 49 additions and 14 deletions

View File

@@ -23,6 +23,7 @@ class PlayerConfig(Dataclass):
switchcyc: int = 3
qmprog: str = 'g16'
altsteps: int = 20000
geoms_file = 'geoms.xyz'
simulation_dir = 'simfiles'
def __post_init__(self):