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Updated cluster compute function for nanobind conversion.
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tfteague committed Sep 14, 2024
1 parent 7df0ee7 commit e730ce9
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Showing 9 changed files with 264 additions and 310 deletions.
9 changes: 5 additions & 4 deletions freud/CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -20,8 +20,8 @@ add_library(
# box
box/Box.h
# cluster
# cluster/Cluster.h
# cluster/Cluster.cc
cluster/Cluster.h
cluster/Cluster.cc
cluster/ClusterProperties.h
cluster/ClusterProperties.cc
# density
Expand Down Expand Up @@ -134,7 +134,7 @@ target_link_libraries(freud PUBLIC TBB::tbb)
target_include_directories(freud SYSTEM PUBLIC ${PROJECT_SOURCE_DIR}/extern/)

# cluster
nanobind_add_module(_cluster cluster/module-Cluster.cc cluster/export-ClusterProperties.cc)#cluster/export-Cluster.cc)
nanobind_add_module(_cluster cluster/module-Cluster.cc cluster/export-Cluster.cc cluster/export-ClusterProperties.cc)
target_link_libraries(_cluster PUBLIC freud TBB::tbb)
target_set_install_rpath(_cluster)

Expand Down Expand Up @@ -194,14 +194,15 @@ target_set_install_rpath(_util)
set(python_files
__init__.py
box.py
cluster.py
data.py
errors.py
locality.py
parallel.py
pmft.py
plot.py
util.py)
# cluster.py density.py diffraction.py environment.py order.py interface.py
# density.py diffraction.py environment.py order.py interface.py
# msd.py)

copy_files_to_build("${python_files}" "freud" "*.py")
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5 changes: 2 additions & 3 deletions freud/__init__.py
Original file line number Diff line number Diff line change
@@ -1,9 +1,8 @@
# Copyright (c) 2010-2024 The Regents of the University of Michigan
# This file is from the freud project, released under the BSD 3-Clause License.


# cluster,; density,; diffraction,; environment,; interface,; msd,; order,
from . import box, data, locality, parallel, pmft
#density,; diffraction,; environment,; interface,; msd,; order,
from . import box, data, locality, parallel, pmft, cluster
from .box import Box
from .locality import AABBQuery, LinkCell, NeighborList
from .parallel import NumThreads, get_num_threads, set_num_threads
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