Commit bc35081f authored by Marco Govoni's avatar Marco Govoni
Browse files

Updated geometry file

parent 259f2a7b
......@@ -40,7 +40,8 @@ class Geometry(object) :
The method checks that:
- the cell is set
- at least one atom has been added
- the pseudopotentials of all species are defined
- the pseudopotentials of all species are defined
- the pseudopotentials do not contain a mix of upf and xml formats
"""
isValid = True
for key in self.isSet.keys() :
......@@ -48,6 +49,7 @@ class Geometry(object) :
if( not self.isSet[key] ) :
print("ERR: set "+key)
isValid = isValid and self.__atomsMatchSpecies()
isValid = isValid and self.pseudoFormat in ["upf","xml"]
return isValid
#
def addSpecies(self, symbol, fname, url) :
......
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