Fixes Player Class Implementation

This commit is contained in:
2022-06-01 20:03:58 -03:00
parent 44cb4268ef
commit e54b3e55fa
10 changed files with 94 additions and 145 deletions

View File

@@ -17,21 +17,18 @@ from diceplayer.DPpack.Utils.Validations import NotNull
class Gaussian:
qmprog = "g09"
mem = None
keywords = None
chgmult = [0, 1]
gmiddle = None # In each case, if a filename is given, its content will be
gbottom = None # inserted in the gaussian input
pop = "chelpg"
level = None
def __init__(self) -> None:
pass
@NotNull(requiredArgs=["level"])
@NotNull(requiredArgs=["qmprog","level"])
def updateKeywords(self, **data):
self.__dict__.update(data)
self.__dict__.update(**data)
def run_formchk(self, cycle: int, fh: TextIO):