forked from lijiext/lammps
Added style header generation with CMake
This commit is contained in:
Richard Berger
parent
c07adac22d
commit
335ef11a7b
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@ -5,6 +5,8 @@ set(SOVERSION 0)
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set(LAMMPS_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../src)
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set(LAMMPS_LIB_SOURCE_DIR ${CMAKE_SOURCE_DIR}/../lib)
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set(CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/Modules)
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if(NOT CMAKE_BUILD_TYPE AND NOT CMAKE_C_FLAGS)
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#release comes with -O3 by default
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set(CMAKE_BUILD_TYPE Release CACHE STRING "Choose the type of build, options are: None Debug Release RelWithDebInfo MinSizeRel." FORCE)
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@ -42,6 +44,11 @@ foreach(PKG ${PACKAGES})
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option(ENABLE_${PKG} "Build ${PKG} Package" OFF)
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endforeach()
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set(ACCEL_PACKAGES USER-OMP)
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foreach(PKG ${ACCEL_PACKAGES})
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option(ENABLE_${PKG} "Build ${PKG} Package" OFF)
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endforeach()
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find_package(JPEG)
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if(JPEG_FOUND)
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add_definitions(-DLAMMPS_JPEG)
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@ -101,24 +108,48 @@ if(NOT ENABLE_MPI)
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include_directories(${LAMMPS_SOURCE_DIR}/STUBS)
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endif()
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include(StyleHeaderUtils)
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RegisterStyles(${LAMMPS_SOURCE_DIR})
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# packages which include entire content when enabled
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foreach(PKG ${PACKAGES})
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if(ENABLE_${PKG})
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file(GLOB ${PKG}_SOURCES ${LAMMPS_SOURCE_DIR}/${PKG}/*.cpp)
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set(${PKG}_SOURCES_DIR ${LAMMPS_SOURCE_DIR}/${PKG})
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# detects styles in package and adds them to global list
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RegisterStyles(${${PKG}_SOURCES_DIR})
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file(GLOB ${PKG}_SOURCES ${${PKG}_SOURCES_DIR}/*.cpp)
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list(APPEND LIB_SOURCES ${${PKG}_SOURCES})
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include_directories(${LAMMPS_SOURCE_DIR}/${PKG})
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include_directories(${${PKG}_SOURCES_DIR})
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endif()
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endforeach()
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# packages which selectively include variants based on enabled styles
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# e.g. accelerator packages
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# TODO
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if(ENABLE_REAX)
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enable_language(Fortran)
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file(GLOB REAX_SOURCES ${LAMMPS_LIB_SOURCE_DIR}/reax/*.F)
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list(APPEND LIB_SOURCES ${REAX_SOURCES})
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include_directories(${LAMMPS_LIB_SOURCE_DIR}/reax)
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endif()
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######################################################
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# Generate style headers based on global list of
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# styles registered during package selection
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######################################################
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set(LAMMPS_STYLE_HEADERS_DIR ${CMAKE_CURRENT_BINARY_DIR}/styles)
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GenerateStyleHeaders(${LAMMPS_STYLE_HEADERS_DIR})
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include_directories(${LAMMPS_SOURCE_DIR})
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include_directories(${CMAKE_SOURCE_DIR}/Headers)
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configure_file(${CMAKE_SOURCE_DIR}/Headers/package.h.cmakein ${CMAKE_BINARY_DIR}/cmake/package.h)
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include_directories(${CMAKE_BINARY_DIR}/cmake)
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include_directories(${LAMMPS_STYLE_HEADERS_DIR})
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add_library(lammps ${LIB_SOURCES})
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target_link_libraries(lammps ${LAMMPS_LINK_LIBS})
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@ -1,2 +0,0 @@
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#cmakedefine ENABLE_ASPHERE
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#cmakedefine ENABLE_REAX
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@ -1,3 +0,0 @@
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#include "package.h"
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#include "angle_hybrid.h"
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#include "angle_zero.h"
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@ -1,9 +0,0 @@
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#include "package.h"
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#include "atom_vec_atomic.h"
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#include "atom_vec_body.h"
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#include "atom_vec_charge.h"
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#include "atom_vec_ellipsoid.h"
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#include "atom_vec_hybrid.h"
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#include "atom_vec_line.h"
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#include "atom_vec_sphere.h"
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#include "atom_vec_tri.h"
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@ -1 +0,0 @@
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#include "package.h"
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@ -1,3 +0,0 @@
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#include "package.h"
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#include "bond_hybrid.h"
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#include "bond_zero.h"
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@ -1,23 +0,0 @@
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#include "package.h"
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#include "balance.h"
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#include "change_box.h"
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#include "create_atoms.h"
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#include "create_bonds.h"
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#include "create_box.h"
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#include "delete_atoms.h"
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#include "delete_bonds.h"
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#include "displace_atoms.h"
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#include "info.h"
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#include "minimize.h"
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#include "read_data.h"
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#include "read_dump.h"
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#include "read_restart.h"
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#include "replicate.h"
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#include "rerun.h"
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#include "run.h"
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#include "set.h"
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#include "velocity.h"
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#include "write_coeff.h"
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#include "write_data.h"
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#include "write_dump.h"
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#include "write_restart.h"
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@ -1,66 +0,0 @@
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#include "package.h"
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#include "compute_angle.h"
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#include "compute_angle_local.h"
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#include "compute_angmom_chunk.h"
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#include "compute_bond.h"
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#include "compute_bond_local.h"
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#include "compute_centro_atom.h"
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#include "compute_chunk_atom.h"
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#include "compute_cluster_atom.h"
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#include "compute_cna_atom.h"
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#include "compute_com.h"
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#include "compute_com_chunk.h"
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#include "compute_contact_atom.h"
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#include "compute_coord_atom.h"
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#include "compute_dihedral.h"
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#include "compute_dihedral_local.h"
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#include "compute_dipole_chunk.h"
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#include "compute_displace_atom.h"
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#ifdef ENABLE_ASPHERE
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#include "compute_erotate_asphere.h"
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#endif
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#include "compute_erotate_sphere.h"
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#include "compute_erotate_sphere_atom.h"
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#include "compute_global_atom.h"
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#include "compute_group_group.h"
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#include "compute_gyration.h"
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#include "compute_gyration_chunk.h"
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#include "compute_heat_flux.h"
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#include "compute_hexorder_atom.h"
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#include "compute_improper.h"
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#include "compute_improper_local.h"
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#include "compute_inertia_chunk.h"
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#include "compute_ke.h"
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#include "compute_ke_atom.h"
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#include "compute_msd.h"
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#include "compute_msd_chunk.h"
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#include "compute_omega_chunk.h"
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#include "compute_orientorder_atom.h"
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#include "compute_pair.h"
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#include "compute_pair_local.h"
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#include "compute_pe.h"
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#include "compute_pe_atom.h"
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#include "compute_pressure.h"
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#include "compute_property_atom.h"
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#include "compute_property_chunk.h"
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#include "compute_property_local.h"
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#include "compute_rdf.h"
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#include "compute_reduce.h"
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#include "compute_reduce_region.h"
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#include "compute_slice.h"
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#include "compute_stress_atom.h"
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#include "compute_temp.h"
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#ifdef ENABLE_ASPHERE
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#include "compute_temp_asphere.h"
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#endif
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#include "compute_temp_chunk.h"
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#include "compute_temp_com.h"
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#include "compute_temp_deform.h"
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#include "compute_temp_partial.h"
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#include "compute_temp_profile.h"
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#include "compute_temp_ramp.h"
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#include "compute_temp_region.h"
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#include "compute_temp_sphere.h"
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#include "compute_torque_chunk.h"
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#include "compute_vacf.h"
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#include "compute_vcm_chunk.h"
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@ -1,3 +0,0 @@
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#include "package.h"
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#include "dihedral_hybrid.h"
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#include "dihedral_zero.h"
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@ -1,9 +0,0 @@
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#include "package.h"
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#include "dump_atom.h"
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#include "dump_cfg.h"
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#include "dump_custom.h"
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#include "dump_dcd.h"
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#include "dump_image.h"
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#include "dump_local.h"
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#include "dump_movie.h"
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#include "dump_xyz.h"
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@ -1,92 +0,0 @@
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#include "package.h"
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#include "fix_adapt.h"
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#include "fix_addforce.h"
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#include "fix_ave_atom.h"
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#include "fix_ave_chunk.h"
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#include "fix_ave_correlate.h"
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#include "fix_ave_histo.h"
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#include "fix_ave_histo_weight.h"
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#include "fix_ave_time.h"
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#include "fix_aveforce.h"
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#include "fix_balance.h"
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#include "fix_box_relax.h"
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#include "fix_controller.h"
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#include "fix_deform.h"
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#include "fix_deprecated.h"
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#include "fix_drag.h"
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#include "fix_dt_reset.h"
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#include "fix_enforce2d.h"
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#include "fix_external.h"
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#include "fix_gravity.h"
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#include "fix_group.h"
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#include "fix_halt.h"
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#include "fix_heat.h"
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#include "fix_indent.h"
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#include "fix_langevin.h"
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#include "fix_lineforce.h"
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#include "fix_minimize.h"
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#include "fix_momentum.h"
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#include "fix_move.h"
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#include "fix_nph.h"
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#ifdef ENABLE_ASPHERE
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#include "fix_nph_asphere.h"
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#endif
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#include "fix_nph_sphere.h"
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#include "fix_npt.h"
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#ifdef ENABLE_ASPHERE
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#include "fix_npt_asphere.h"
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#endif
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#include "fix_npt_sphere.h"
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#include "fix_nve.h"
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#ifdef ENABLE_ASPHERE
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#include "fix_nve_asphere.h"
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#include "fix_nve_asphere_noforce.h"
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#endif
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#include "fix_nve_limit.h"
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#ifdef ENABLE_ASPHERE
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#include "fix_nve_line.h"
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#endif
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#include "fix_nve_noforce.h"
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#include "fix_nve_sphere.h"
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#ifdef ENABLE_ASPHERE
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#include "fix_nve_tri.h"
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#endif
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#include "fix_nvt.h"
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#ifdef ENABLE_ASPHERE
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#include "fix_nvt_asphere.h"
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#endif
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#include "fix_nvt_sllod.h"
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#include "fix_nvt_sphere.h"
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#include "fix_planeforce.h"
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#include "fix_press_berendsen.h"
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#include "fix_print.h"
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#include "fix_property_atom.h"
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#include "fix_read_restart.h"
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#ifdef ENABLE_REAX
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#include "fix_reax_bonds.h"
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#endif
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#include "fix_recenter.h"
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#include "fix_respa.h"
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#include "fix_restrain.h"
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#include "fix_setforce.h"
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#include "fix_shear_history.h"
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#include "fix_spring.h"
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#include "fix_spring_chunk.h"
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#include "fix_spring_rg.h"
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#include "fix_spring_self.h"
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#include "fix_store.h"
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#include "fix_store_force.h"
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#include "fix_store_state.h"
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#include "fix_temp_berendsen.h"
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#include "fix_temp_csld.h"
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#include "fix_temp_csvr.h"
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#include "fix_temp_rescale.h"
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#include "fix_tmd.h"
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#include "fix_vector.h"
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#include "fix_viscous.h"
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#include "fix_wall_harmonic.h"
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#include "fix_wall_lj1043.h"
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#include "fix_wall_lj126.h"
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#include "fix_wall_lj93.h"
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#include "fix_wall_reflect.h"
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#include "fix_wall_region.h"
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@ -1,3 +0,0 @@
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#include "package.h"
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#include "improper_hybrid.h"
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#include "improper_zero.h"
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@ -1,3 +0,0 @@
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#include "package.h"
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#include "respa.h"
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#include "verlet.h"
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@ -1 +0,0 @@
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#include "package.h"
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@ -1,6 +0,0 @@
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#include "package.h"
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#include "min_cg.h"
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#include "min_fire.h"
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#include "min_hftn.h"
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#include "min_quickmin.h"
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#include "min_sd.h"
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@ -1,2 +0,0 @@
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#include "package.h"
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#include "nbin_standard.h"
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@ -1,36 +0,0 @@
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#include "package.h"
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#include "npair_copy.h"
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#include "npair_full_bin.h"
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#include "npair_full_bin_atomonly.h"
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#include "npair_full_bin_ghost.h"
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#include "npair_full_multi.h"
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#include "npair_full_nsq.h"
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#include "npair_full_nsq_ghost.h"
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#include "npair_half_bin_atomonly_newton.h"
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#include "npair_half_bin_newtoff.h"
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#include "npair_half_bin_newtoff_ghost.h"
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#include "npair_half_bin_newton.h"
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#include "npair_half_bin_newton_tri.h"
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#include "npair_half_multi_newtoff.h"
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#include "npair_half_multi_newton.h"
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#include "npair_half_multi_newton_tri.h"
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#include "npair_half_nsq_newtoff.h"
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#include "npair_half_nsq_newtoff_ghost.h"
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#include "npair_half_nsq_newton.h"
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#include "npair_half_respa_bin_newtoff.h"
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#include "npair_half_respa_bin_newton.h"
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#include "npair_half_respa_bin_newton_tri.h"
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#include "npair_half_respa_nsq_newtoff.h"
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#include "npair_half_respa_nsq_newton.h"
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#include "npair_half_size_bin_newtoff.h"
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#include "npair_half_size_bin_newton.h"
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#include "npair_half_size_bin_newton_tri.h"
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#include "npair_half_size_nsq_newtoff.h"
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#include "npair_half_size_nsq_newton.h"
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#include "npair_halffull_newtoff.h"
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#include "npair_halffull_newton.h"
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#include "npair_skip.h"
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#include "npair_skip_respa.h"
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#include "npair_skip_size.h"
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#include "npair_skip_size_off2on.h"
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#include "npair_skip_size_off2on_oneside.h"
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@ -1,21 +0,0 @@
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#include "package.h"
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#include "nstencil_full_bin_2d.h"
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#include "nstencil_full_bin_3d.h"
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#include "nstencil_full_ghost_bin_2d.h"
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#include "nstencil_full_ghost_bin_3d.h"
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#include "nstencil_full_multi_2d.h"
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#include "nstencil_full_multi_3d.h"
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#include "nstencil_half_bin_2d_newtoff.h"
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#include "nstencil_half_bin_2d_newton.h"
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#include "nstencil_half_bin_2d_newton_tri.h"
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#include "nstencil_half_bin_3d_newtoff.h"
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#include "nstencil_half_bin_3d_newton.h"
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#include "nstencil_half_bin_3d_newton_tri.h"
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#include "nstencil_half_ghost_bin_2d_newtoff.h"
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#include "nstencil_half_ghost_bin_3d_newtoff.h"
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#include "nstencil_half_multi_2d_newtoff.h"
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#include "nstencil_half_multi_2d_newton.h"
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#include "nstencil_half_multi_2d_newton_tri.h"
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#include "nstencil_half_multi_3d_newtoff.h"
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#include "nstencil_half_multi_3d_newton.h"
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#include "nstencil_half_multi_3d_newton_tri.h"
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@ -1,13 +0,0 @@
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#include "package.h"
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#include "ntopo_angle_all.h"
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#include "ntopo_angle_partial.h"
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#include "ntopo_angle_template.h"
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#include "ntopo_bond_all.h"
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#include "ntopo_bond_partial.h"
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#include "ntopo_bond_template.h"
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#include "ntopo_dihedral_all.h"
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#include "ntopo_dihedral_partial.h"
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#include "ntopo_dihedral_template.h"
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#include "ntopo_improper_all.h"
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#include "ntopo_improper_partial.h"
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#include "ntopo_improper_template.h"
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@ -1,50 +0,0 @@
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#include "package.h"
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#include "pair_beck.h"
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#include "pair_born.h"
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#include "pair_born_coul_dsf.h"
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#include "pair_born_coul_wolf.h"
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#include "pair_buck.h"
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#include "pair_buck_coul_cut.h"
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#include "pair_coul_cut.h"
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||||
#include "pair_coul_debye.h"
|
||||
#include "pair_coul_dsf.h"
|
||||
#include "pair_coul_streitz.h"
|
||||
#include "pair_coul_wolf.h"
|
||||
#include "pair_dpd.h"
|
||||
#include "pair_dpd_tstat.h"
|
||||
#include "pair_gauss.h"
|
||||
#ifdef ENABLE_ASPHERE
|
||||
#include "pair_gayberne.h"
|
||||
#endif
|
||||
#include "pair_hybrid.h"
|
||||
#include "pair_hybrid_overlay.h"
|
||||
#ifdef ENABLE_ASPHERE
|
||||
#include "pair_line_lj.h"
|
||||
#endif
|
||||
#include "pair_lj96_cut.h"
|
||||
#include "pair_lj_cubic.h"
|
||||
#include "pair_lj_cut.h"
|
||||
#include "pair_lj_cut_coul_cut.h"
|
||||
#include "pair_lj_cut_coul_debye.h"
|
||||
#include "pair_lj_cut_coul_dsf.h"
|
||||
#include "pair_lj_expand.h"
|
||||
#include "pair_lj_gromacs.h"
|
||||
#include "pair_lj_gromacs_coul_gromacs.h"
|
||||
#include "pair_lj_smooth.h"
|
||||
#include "pair_lj_smooth_linear.h"
|
||||
#include "pair_mie_cut.h"
|
||||
#include "pair_morse.h"
|
||||
#ifdef ENABLE_REAX
|
||||
#include "pair_reax.h"
|
||||
#endif
|
||||
#ifdef ENABLE_ASPHERE
|
||||
#include "pair_resquared.h"
|
||||
#endif
|
||||
#include "pair_soft.h"
|
||||
#include "pair_table.h"
|
||||
#ifdef ENABLE_ASPHERE
|
||||
#include "pair_tri_lj.h"
|
||||
#endif
|
||||
#include "pair_yukawa.h"
|
||||
#include "pair_zbl.h"
|
||||
#include "pair_zero.h"
|
||||
|
|
@ -1,3 +0,0 @@
|
|||
#include "package.h"
|
||||
#include "reader_native.h"
|
||||
#include "reader_xyz.h"
|
||||
|
|
@ -1,9 +0,0 @@
|
|||
#include "package.h"
|
||||
#include "region_block.h"
|
||||
#include "region_cone.h"
|
||||
#include "region_cylinder.h"
|
||||
#include "region_intersect.h"
|
||||
#include "region_plane.h"
|
||||
#include "region_prism.h"
|
||||
#include "region_sphere.h"
|
||||
#include "region_union.h"
|
||||
|
|
@ -0,0 +1,81 @@
|
|||
function(FindStyleHeaders path style_class file_pattern headers)
|
||||
file(GLOB files "${path}/${file_pattern}*.h")
|
||||
get_property(hlist GLOBAL PROPERTY ${headers})
|
||||
|
||||
foreach(file_name ${files})
|
||||
file(STRINGS ${file_name} is_style LIMIT_COUNT 1 REGEX ${style_class})
|
||||
if(is_style)
|
||||
list(APPEND hlist ${file_name})
|
||||
endif()
|
||||
endforeach()
|
||||
set_property(GLOBAL PROPERTY ${headers} "${hlist}")
|
||||
endfunction(FindStyleHeaders)
|
||||
|
||||
function(CreateStyleHeader path filename)
|
||||
math(EXPR N "${ARGC}-2")
|
||||
|
||||
set(temp "")
|
||||
if(N GREATER 0)
|
||||
math(EXPR ARG_END "${ARGC}-1")
|
||||
|
||||
foreach(IDX RANGE 2 ${ARG_END})
|
||||
list(GET ARGV ${IDX} FNAME)
|
||||
get_filename_component(FNAME ${FNAME} NAME)
|
||||
set(temp "${temp}#include \"${FNAME}\"\n")
|
||||
endforeach()
|
||||
endif()
|
||||
message("Generating ${filename}...")
|
||||
file(WRITE "${path}/${filename}" "${temp}" )
|
||||
endfunction(CreateStyleHeader)
|
||||
|
||||
function(GenerateStyleHeader path property style)
|
||||
get_property(files GLOBAL PROPERTY ${property})
|
||||
#message("${property} = ${files}")
|
||||
CreateStyleHeader("${path}" "style_${style}.h" ${files})
|
||||
endfunction(GenerateStyleHeader)
|
||||
|
||||
function(RegisterStyles search_path)
|
||||
FindStyleHeaders(${search_path} ANGLE_CLASS angle_ ANGLE ) # angle ) # force
|
||||
FindStyleHeaders(${search_path} ATOM_CLASS atom_vec_ ATOM_VEC ) # atom ) # atom atom_vec_hybrid
|
||||
FindStyleHeaders(${search_path} BODY_CLASS body_ BODY ) # body ) # atom_vec_body
|
||||
FindStyleHeaders(${search_path} BOND_CLASS bond_ BOND ) # bond ) # force
|
||||
FindStyleHeaders(${search_path} COMMAND_CLASS "" COMMAND ) # command ) # input
|
||||
FindStyleHeaders(${search_path} COMPUTE_CLASS compute_ COMPUTE ) # compute ) # modify
|
||||
FindStyleHeaders(${search_path} DIHEDRAL_CLASS dihedral_ DIHEDRAL ) # dihedral ) # force
|
||||
FindStyleHeaders(${search_path} DUMP_CLASS dump_ DUMP ) # dump ) # output write_dump
|
||||
FindStyleHeaders(${search_path} FIX_CLASS fix_ FIX ) # fix ) # modify
|
||||
FindStyleHeaders(${search_path} IMPROPER_CLASS improper_ IMPROPER ) # improper ) # force
|
||||
FindStyleHeaders(${search_path} INTEGRATE_CLASS "" INTEGRATE ) # integrate ) # update
|
||||
FindStyleHeaders(${search_path} KSPACE_CLASS "" KSPACE ) # kspace ) # force
|
||||
FindStyleHeaders(${search_path} MINIMIZE_CLASS min_ MINIMIZE ) # minimize ) # update
|
||||
FindStyleHeaders(${search_path} NBIN_CLASS nbin_ NBIN ) # nbin ) # neighbor
|
||||
FindStyleHeaders(${search_path} NPAIR_CLASS npair_ NPAIR ) # npair ) # neighbor
|
||||
FindStyleHeaders(${search_path} NSTENCIL_CLASS nstencil_ NSTENCIL ) # nstencil ) # neighbor
|
||||
FindStyleHeaders(${search_path} NTOPO_CLASS ntopo_ NTOPO ) # ntopo ) # neighbor
|
||||
FindStyleHeaders(${search_path} PAIR_CLASS pair_ PAIR ) # pair ) # force
|
||||
FindStyleHeaders(${search_path} READER_CLASS reader_ READER ) # reader ) # read_dump
|
||||
FindStyleHeaders(${search_path} REGION_CLASS region_ REGION ) # region ) # domain
|
||||
endfunction(RegisterStyles)
|
||||
|
||||
function(GenerateStyleHeaders output_path)
|
||||
GenerateStyleHeader(${output_path} ANGLE angle ) # force
|
||||
GenerateStyleHeader(${output_path} ATOM_VEC atom ) # atom atom_vec_hybrid
|
||||
GenerateStyleHeader(${output_path} BODY body ) # atom_vec_body
|
||||
GenerateStyleHeader(${output_path} BOND bond ) # force
|
||||
GenerateStyleHeader(${output_path} COMMAND command ) # input
|
||||
GenerateStyleHeader(${output_path} COMPUTE compute ) # modify
|
||||
GenerateStyleHeader(${output_path} DIHEDRAL dihedral ) # force
|
||||
GenerateStyleHeader(${output_path} DUMP dump ) # output write_dump
|
||||
GenerateStyleHeader(${output_path} FIX fix ) # modify
|
||||
GenerateStyleHeader(${output_path} IMPROPER improper ) # force
|
||||
GenerateStyleHeader(${output_path} INTEGRATE integrate ) # update
|
||||
GenerateStyleHeader(${output_path} KSPACE kspace ) # force
|
||||
GenerateStyleHeader(${output_path} MINIMIZE minimize ) # update
|
||||
GenerateStyleHeader(${output_path} NBIN nbin ) # neighbor
|
||||
GenerateStyleHeader(${output_path} NPAIR npair ) # neighbor
|
||||
GenerateStyleHeader(${output_path} NSTENCIL nstencil ) # neighbor
|
||||
GenerateStyleHeader(${output_path} NTOPO ntopo ) # neighbor
|
||||
GenerateStyleHeader(${output_path} PAIR pair ) # force
|
||||
GenerateStyleHeader(${output_path} READER reader ) # read_dump
|
||||
GenerateStyleHeader(${output_path} REGION region ) # domain
|
||||
endfunction(GenerateStyleHeaders)
|
||||
Loading…
Reference in New Issue