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Adding Chebyshev anisotropic pair potential #121

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Adding Chebyshev anisotropic pair potential #121

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a631d5a
Add header for Chebyshev anisotropic pair potential
mzf0069 Jan 26, 2026
c0323f1
Update header interface
mzf0069 Feb 5, 2026
189f25f
Update header interface
mzf0069 Feb 16, 2026
67e1bdc
Update Chebyshev anisotropic pair potential and add linear interpolant
mzf0069 Feb 27, 2026
45a1740
Update linear interpolation, and initiate compute force
mzf0069 Mar 19, 2026
3c07536
Implement force and torque calculation
mzf0069 Apr 10, 2026
c1fc34a
Update linear interpolant
mzf0069 Apr 10, 2026
e95b0dd
Update force and torque calculations and add symmetry evaluator.
mzf0069 Apr 17, 2026
0d92038
Update documentation
mzf0069 Apr 17, 2026
926b57f
Add the symmetry class of cube
mzf0069 Apr 19, 2026
c00f843
Refactor Chebyshev anisotropic pair potential for symmetry support
mzf0069 Apr 24, 2026
a466061
Remove domain as user-defined variable
mzf0069 Apr 24, 2026
0f7ec02
Implement suggestions and start GPU implementation
mzf0069 May 17, 2026
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23 changes: 23 additions & 0 deletions src/CMakeLists.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -65,6 +65,12 @@ set(_aniso_pair_evaluators
TwoPatchMorse
)

set(_chebyshev_symmetries
Null
Cube
Tetrahedron
)

# process bond potentials
foreach(_evaluator ${_bond_evaluators})
configure_file(export_PotentialBond.cc.inc
Expand Down Expand Up @@ -160,6 +166,23 @@ foreach(_evaluator ${_aniso_pair_evaluators})
endif()
endforeach()

# process Chebyshev anisotropic pair potential
foreach(_symmetry ${_chebyshev_symmetries})
configure_file(export_ChebyshevAnisotropicPairPotential.cc.inc
export_ChebyshevAnisotropicPairPotential${_symmetry}.cc
@ONLY)
set(_${COMPONENT_NAME}_sources ${_${COMPONENT_NAME}_sources}
export_ChebyshevAnisotropicPairPotential${_symmetry}.cc)

if (ENABLE_HIP)
configure_file(export_ChebyshevAnisotropicPairPotentialGPU.cc.inc
export_ChebyshevAnisotropicPairPotential${_symmetry}GPU.cc
@ONLY)
set(_${COMPONENT_NAME}_sources ${_${COMPONENT_NAME}_sources}
export_ChebyshevAnisotropicPairPotential${_symmetry}GPU.cc)
endif()
endforeach()

# process velocity field geometries
set(_binning_geometries
Cartesian
Expand Down
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