| 54 |
|
|
| 55 |
|
public: |
| 56 |
|
ForceFields(){ frcFile = NULL; entry_plug = NULL; } |
| 57 |
< |
~ForceFields(){} |
| 57 |
> |
virtual ~ForceFields(){} |
| 58 |
|
|
| 59 |
|
void setSimInfo( SimInfo* the_entry_plug ) { entry_plug = the_entry_plug; } |
| 60 |
|
virtual void initializeAtoms( void ) = 0; |
| 73 |
|
|
| 74 |
|
public: |
| 75 |
|
TraPPEFF(); |
| 76 |
< |
~TraPPEFF(); |
| 76 |
> |
virtual ~TraPPEFF(); |
| 77 |
|
|
| 78 |
|
void initializeAtoms( void ); |
| 79 |
|
void initializeBonds( bond_pair* the_bonds ); |
| 86 |
|
|
| 87 |
|
public: |
| 88 |
|
DipoleTestFF(); |
| 89 |
< |
~DipoleTestFF(); |
| 89 |
> |
virtual ~DipoleTestFF(); |
| 90 |
|
|
| 91 |
|
void initializeAtoms( void ); |
| 92 |
|
void initializeBonds( bond_pair* the_bonds ); |
| 98 |
|
|
| 99 |
|
public: |
| 100 |
|
TraPPE_ExFF(); |
| 101 |
< |
~TraPPE_ExFF(); |
| 101 |
> |
virtual ~TraPPE_ExFF(); |
| 102 |
|
|
| 103 |
|
void initializeAtoms( void ); |
| 104 |
|
void initializeBonds( bond_pair* the_bonds ); |