MolSys Namespace Reference


Compounds

class  point
class  node
class  atom
class  arc
class  ao
class  cao
class  cpao
class  term
class  oes
class  group
class  composition
class  geometry
class  molgraph
class  structure
class  molecule

Enumerations

enum  atombasistype { VALENCE, RYDBERG }
enum  inputtype {
  BF2002, CATAL, ECF, GEOMO,
  MOLCRYST, PPP
}


Enumeration Type Documentation

enum MolSys::atombasistype
 

Enumeration values:
VALENCE 
RYDBERG 

enum MolSys::inputtype
 

Enumeration values:
BF2002 
CATAL 
ECF 
GEOMO 
MOLCRYST 
PPP 


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