Moved some stuff around. (e79cd6c6) · Commits · 郑智淋 / lammps

cmake/CMakeLists.txt

+9 −3

Original line number	Diff line number	Diff line
		@@ -37,6 +37,10 @@ enable_language(CXX)
		#####################################################################
		include(CheckCCompilerFlag)

		if (${CMAKE_CXX_COMPILER_ID} STREQUAL "Intel")
		set (CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -restrict")
		endif()

		########################################################################
		# User input options #
		########################################################################
		@@ -76,7 +80,7 @@ add_definitions(-DLAMMPS_MEMALIGN=${LAMMPS_MEMALIGN})
		option(LAMMPS_EXCEPTIONS "enable the use of C++ exceptions for error messages (useful for library interface)" OFF)
		if(LAMMPS_EXCEPTIONS)
		add_definitions(-DLAMMPS_EXCEPTIONS)
		set(LAMMPS_API_DEFINES "${LAMMPS_API_DEFINES -DLAMMPS_EXCEPTIONS")
		set(LAMMPS_API_DEFINES "${LAMMPS_API_DEFINES} -DLAMMPS_EXCEPTIONS")
		endif()

		set(LAMMPS_MACHINE "" CACHE STRING "Suffix to append to lmp binary and liblammps (WON'T enable any features automatically")
		@@ -101,7 +105,7 @@ set(OTHER_PACKAGES KIM PYTHON MSCG MPIIO VORONOI POEMS LATTE
		USER-CGSDK USER-COLVARS USER-DIFFRACTION USER-DPD USER-DRUDE USER-EFF
		USER-FEP USER-H5MD USER-LB USER-MANIFOLD USER-MEAMC USER-MGPT USER-MISC
		USER-MOLFILE USER-NETCDF USER-PHONON USER-QTB USER-REAXC USER-SMD
		USER-SMTBQ USER-SPH USER-TALLY USER-VTK USER-QUIP USER-QMMM)
		USER-SMTBQ USER-SPH USER-TALLY USER-UEF USER-VTK USER-QUIP USER-QMMM)
		set(ACCEL_PACKAGES USER-OMP KOKKOS OPT USER-INTEL GPU)
		foreach(PKG ${DEFAULT_PACKAGES})
		option(ENABLE_${PKG} "Build ${PKG} Package" ${ENABLE_ALL})
		@@ -665,7 +669,9 @@ include_directories(${LAMMPS_STYLE_HEADERS_DIR})
		############################################
		add_library(lammps ${LIB_SOURCES})
		target_link_libraries(lammps ${LAMMPS_LINK_LIBS})
		if(LAMMPS_DEPS)
		add_dependencies(lammps ${LAMMPS_DEPS})
		endif()
		set_target_properties(lammps PROPERTIES OUTPUT_NAME lammps${LAMMPS_MACHINE})
		if(BUILD_SHARED_LIBS)
		set_target_properties(lammps PROPERTIES SOVERSION ${SOVERSION})

doc/src/Eqs/bond_gromos.jpg

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doc/src/Eqs/bond_gromos.tex

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+10 −0

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		\documentclass[12pt]{article}
		\pagestyle{empty}

		\begin{document}

		$$
		E = K (r^2 - r_0^2)^2
		$$

		\end{document}

doc/src/Eqs/fix_rhok.jpg

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doc/src/Eqs/fix_rhok.tex

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+11 −0

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		\documentclass[12pt]{article}

		\begin{document}

		\begin{eqnarray*}
		U &=& \frac{1}{2} K (\|\rho_{\vec{k}}\| - a)^2 \\
		\rho_{\vec{k}} &=& \sum_j^N \exp(-i\vec{k} \cdot \vec{r}_j )/\sqrt{N} \\
		\vec{k} &=& (2\pi n_x /L_x , 2\pi n_y /L_y , 2\pi n_z/L_z )
		\end{eqnarray*}

		\end{document}

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