atsim.potentials.eam_tabulation
¶
Module Contents¶
Classes¶
SetFL_EAMTabulation (potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho) |
Class for tabulating setfl formatted embedded atom potentials suitable |
SetFL_FS_EAMTabulation (potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho) |
Class for tabulating setfl Finnis-Sinclair formatted embedded atom potentials suitable |
TABEAM_EAMTabulation (potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho) |
Class for tabulating TABEAM formatted embedded atom potentials for the DL_POLY code. |
TABEAM_FinnisSinclair_EAMTabulation (potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho) |
Class for tabulating EEAM TABEAM formatted Finnis-Sinclair style embedded atom potentials for the DL_POLY code. |
Excel_EAMTabulation (potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho) |
Class for dumping EAM model into a spreadsheet |
Excel_FinnisSinclair_EAMTabulation (potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho) |
Class for dumping EAM model into a spreadsheet |
ADP_EAMTabulation (potentials, eam_potentials, dipole_potentials, quadrupole_potentials, cutoff, nr, cutoff_rho, nrho) |
Class for tabulating setfl formatted embedded atom potentials with the ADP, angular dependent extension, |
-
class
atsim.potentials.eam_tabulation.
SetFL_EAMTabulation
(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)[source]¶ Bases:
atsim.potentials.eam_tabulation._EAMTabulationAbstractbase
Class for tabulating setfl formatted embedded atom potentials suitable for use with LAMMPS’ pair_style eam/alloy
-
class
atsim.potentials.eam_tabulation.
SetFL_FS_EAMTabulation
(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)[source]¶ Bases:
atsim.potentials.eam_tabulation._EAMTabulationAbstractbase
Class for tabulating setfl Finnis-Sinclair formatted embedded atom potentials suitable for use with LAMMPS’ pair_style eam/fs
-
class
atsim.potentials.eam_tabulation.
TABEAM_EAMTabulation
(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)[source]¶ Bases:
atsim.potentials.eam_tabulation._EAMTabulationAbstractbase
Class for tabulating TABEAM formatted embedded atom potentials for the DL_POLY code.
-
class
atsim.potentials.eam_tabulation.
TABEAM_FinnisSinclair_EAMTabulation
(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)[source]¶ Bases:
atsim.potentials.eam_tabulation._EAMTabulationAbstractbase
Class for tabulating EEAM TABEAM formatted Finnis-Sinclair style embedded atom potentials for the DL_POLY code.
-
class
atsim.potentials.eam_tabulation.
Excel_EAMTabulation
(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)[source]¶ Bases:
atsim.potentials.eam_tabulation._EAMTabulationAbstractbase
Class for dumping EAM model into a spreadsheet
-
class
atsim.potentials.eam_tabulation.
Excel_FinnisSinclair_EAMTabulation
(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)[source]¶ Bases:
atsim.potentials.eam_tabulation.Excel_EAMTabulation
Class for dumping EAM model into a spreadsheet
-
class
atsim.potentials.eam_tabulation.
ADP_EAMTabulation
(potentials, eam_potentials, dipole_potentials, quadrupole_potentials, cutoff, nr, cutoff_rho, nrho)[source]¶ Bases:
atsim.potentials.eam_tabulation.SetFL_EAMTabulation
Class for tabulating setfl formatted embedded atom potentials with the ADP, angular dependent extension, suitable for use with LAMMPS’ pair_style adp