| Interface | Description |
|---|---|
| P2Water4PSoft.AtomicTensorAtomicPair |
| Class | Description |
|---|---|
| ChargeAgentSourceTIP4PWater | |
| ConfigurationFileTIP4P |
This reads from a configuration file containing only H, H and O.
|
| ConformationWater3P |
Conformation for 3-point water molecule.
|
| ConformationWaterGCPM | |
| ConformationWaterGCPMCOM |
Conformation for 4-point water molecule (plus 1 site at the COM).
|
| ConformationWaterTIP4P |
Conformation for 4-point water molecule.
|
| DipoleSourceWater |
Implementation of DipoleSource that can handle water molecules that are
MoleculeOriented.
|
| OrientationCalcWater3P | |
| OrientationCalcWater4P | |
| P2HardAssociationGCPMReference | |
| P2Water3P |
3-point potential for water.
|
| P2Water3PSoft |
3-point potential for water that can calculate gradient and torque (for the
center of mass of the water molecule).
|
| P2Water4P |
4-point potential for water.
|
| P2Water4PSoft |
3-point potential for water that can calculate gradient and torque (for the
center of mass of the water molecule).
|
| P2WaterSPC |
SPC potential for water.
|
| P2WaterSPCE |
SPC/E potential for water.
|
| P2WaterSPCSoft |
SPC potential for water.
|
| P2WaterSzalewicz |
Water potential as described by
http://dx.doi.org/10.1063/1.4875097
This class handles 2-body, 3-body and induction terms.
|
| P2WaterTIP4P |
TIP4P potential for water.
|
| P2WaterTIP4PHardCore |
4-point potential for water.
|
| P2WaterTIP4PSoft |
TIP4P potential for water.
|
| PNWaterGCPM |
GCPM Water potential class.
|
| PNWaterGCPMReactionField |
GCPM Water potential class including Reaction Field Method.
|
| PNWaterGCPMThreeSite |
GCPM Water potential with three association site for Wertheim approach.
|
| SpeciesWater3P |
Species for 3-point water molecule.
|
| SpeciesWater4P |
Species for 4-point water molecule.
|
| SpeciesWater4PCOM |
Species for 4-point water molecule.
|
| TestEwaldTIP4PWater |
| Enum | Description |
|---|---|
| P2WaterSzalewicz.Component | |
| PNWaterGCPM.Component |