atsim.potentials.pair_tabulation
¶
Module Contents¶
Classes¶
PairTabulation_AbstractBase (potentials, cutoff, nr, target) |
Base class for PairTabulation objects. |
LAMMPS_PairTabulation (potentials, cutoff, nr) |
Class for tabulating pair-potential models for LAMMPS |
DLPoly_PairTabulation (potentials, cutoff, nr) |
Class for tabulating pair-potential models for DLPOLY |
GULP_PairTabulation (potentials, cutoff, nr) |
Class for tabulating pair-potential models for the GULP code. |
Excel_PairTabulation (potentials, cutoff, nr) |
Class for dumping pair-potential models into an Excel formatted spreadsheet |
-
class
atsim.potentials.pair_tabulation.
PairTabulation_AbstractBase
(potentials, cutoff, nr, target)[source]¶ Bases:
object
Base class for PairTabulation objects.
- Child classes must implement:
- write() method
-
class
atsim.potentials.pair_tabulation.
LAMMPS_PairTabulation
(potentials, cutoff, nr)[source]¶ Bases:
atsim.potentials.pair_tabulation.PairTabulation_AbstractBase
Class for tabulating pair-potential models for LAMMPS
-
class
atsim.potentials.pair_tabulation.
DLPoly_PairTabulation
(potentials, cutoff, nr)[source]¶ Bases:
atsim.potentials.pair_tabulation.PairTabulation_AbstractBase
Class for tabulating pair-potential models for DLPOLY
-
class
atsim.potentials.pair_tabulation.
GULP_PairTabulation
(potentials, cutoff, nr)[source]¶ Bases:
atsim.potentials.pair_tabulation.PairTabulation_AbstractBase
Class for tabulating pair-potential models for the GULP code.
-
class
atsim.potentials.pair_tabulation.
Excel_PairTabulation
(potentials, cutoff, nr)[source]¶ Bases:
atsim.potentials.pair_tabulation.PairTabulation_AbstractBase
Class for dumping pair-potential models into an Excel formatted spreadsheet