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# Top level cmake script for OpenMD. |
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cmake_minimum_required (VERSION 2.6) |
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project(OpenMD) |
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# OpenMD version number. |
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set (VERSION_MAJOR "2") |
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set (VERSION_MINOR "0") |
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set (VERSION_TINY "0") |
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chuckv |
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# cmake modules that are needed to build oopse |
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gezelter |
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SET(CMAKE_MODULE_PATH ${OpenMD_SOURCE_DIR}/cmake/modules) |
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gezelter |
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IF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT) |
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SET(CMAKE_INSTALL_PREFIX |
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"/usr/local/openmd" CACHE PATH "OpenMD install prefix" FORCE |
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) |
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ENDIF(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT) |
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chuckv |
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gezelter |
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# ---------- Setup output Directories ------------------------- |
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SET (CMAKE_LIBRARY_OUTPUT_DIRECTORY |
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${PROJECT_BINARY_DIR}/lib |
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CACHE PATH |
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"Single directory for all shared libraries" |
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) |
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# --------- Setup the Executable output Directory ------------- |
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SET (CMAKE_RUNTIME_OUTPUT_DIRECTORY |
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${PROJECT_BINARY_DIR}/bin |
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CACHE PATH |
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"Single directory for all Executables." |
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) |
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# --------- Setup the static library directory ------------- |
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SET (CMAKE_ARCHIVE_OUTPUT_DIRECTORY |
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${PROJECT_BINARY_DIR}/lib |
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CACHE PATH |
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"Single directory for all static libraries." |
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) |
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enable_language(CXX C) |
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if ( APPLE ) |
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set(MPI_COMPILER /opt/local/lib/openmpi/bin/mpic++) |
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set(MPI_LIBRARY "MPI_LIBRARY-NOTFOUND" ) |
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endif( APPLE ) |
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FIND_PACKAGE(MPI) |
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IF ( MPI_FOUND ) |
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SET(CMAKE_REQUIRED_INCLUDES "${MPI_INCLUDE_PATH};${CMAKE_REQUIRED_INCLUDES}") |
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INCLUDE_DIRECTORIES(${MPI_INCLUDE_PATH}) |
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ENDIF() |
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FIND_PACKAGE(Subversion) |
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IF ( Subversion_FOUND AND EXISTS ${PROJECT_SOURCE_DIR}/.svn ) |
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Subversion_WC_INFO(${PROJECT_SOURCE_DIR} Project) |
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MESSAGE("Current revision is ${Project_WC_REVISION}") |
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Subversion_WC_LOG(${PROJECT_SOURCE_DIR} Project) |
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SET(SVN_REV ${Project_WC_REVISION}) |
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ADD_DEFINITIONS( -DSVN_REV=${Project_WC_REVISION} ) |
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ENDIF() |
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chuckv |
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# Optional libraries: If we can find these, we will build with them |
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# Look for OpenBabel libraries |
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find_package(OpenBabel2) |
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IF(OPENBABEL2_FOUND) |
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SET(USE_OPENBABEL) |
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include_directories(${OPENBABEL2_INCLUDE_DIR}) |
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message(STATUS "Openbabel libs: " ${OPENBABEL2_LIBRARIES}) |
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# TARGET_LINK_LIBRARIES(${OPENBABEL2_LIBRARIES}) |
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ENDIF(OPENBABEL2_FOUND) |
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chuckv |
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#Look for QHULL Libraries |
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find_package(QHULL) |
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IF(QHULL_FOUND) |
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SET(HAVE_QHULL 1) |
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include_directories(${QHULL_INCLUDE_DIR}) |
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LINK_LIBRARIES(${QHULL_LIBRARIES}) |
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ENDIF(QHULL_FOUND) |
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chuckv |
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# zlib stuff |
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find_package(ZLIB) |
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if(ZLIB_FOUND) |
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SET(HAVE_LIBZ 1) |
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add_definitions(-DHAVE_LIBZ) |
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include_directories(${ZLIB_INCLUDE_DIR}) |
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LINK_LIBRARIES(${ZLIB_LIBRARIES}) |
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endif(ZLIB_FOUND) |
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#FFTW |
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INCLUDE(${CMAKE_MODULE_PATH}/FindFFTW.cmake) |
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IF(FFTW_FOUND) |
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SET(HAVE_LIBFFTW 1) |
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SET(HAVE_FFTW3_H) |
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INCLUDE_DIRECTORIES(${FFTW_INCLUDE_DIR}) |
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LINK_LIBRARIES(${FFTW_LIBRARIES}) |
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ENDIF(FFTW_FOUND) |
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#include checks |
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include(CheckIncludeFile) |
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CHECK_INCLUDE_FILE(fftw3.h HAVE_FFTW3_H) |
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CHECK_INCLUDE_FILE(fftw.h HAVE_FFWT_H) |
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CHECK_INCLUDE_FILE(dfftw.h HAVE_DFFTW_H) |
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CHECK_INCLUDE_FILE(cmath.h HAVE_CMATH_H) |
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gezelter |
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check_include_file(limits.h HAVE_LIMITS_H) |
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check_include_file(stdlib.h HAVE_STDLIB_H) |
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check_include_file(string.h HAVE_STRING_H) |
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check_include_file("sys/ioctl.h" HAVE_SYS_IOCTL_H) |
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check_include_file(unistd.h HAVE_UNISTD_H) |
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#symbol checks |
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include(CheckSymbolExists) |
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#function checks |
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include(CheckFunctionExists) |
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gezelter |
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check_function_exists(atexit HAVE_ATEXIT) |
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chuckv |
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check_function_exists(floor HAVE_FLOOR) |
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gezelter |
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check_function_exists(pow HAVE_POW) |
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check_function_exists(select HAVE_SELECT) |
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check_function_exists(sqrt HAVE_SQRT) |
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check_function_exists(strcasecmp HAVE_STRCASECMP) |
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check_function_exists(strchr HAVE_STRCHR) |
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check_function_exists(strdup HAVE_STRDUP) |
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check_function_exists(strncasecmp HAVE_STRNCASECMP) |
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check_function_exists(strstr HAVE_STRSTR) |
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check_function_exists(strtol HAVE_STRTOL) |
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check_function_exists(strtoull HAVE_STRTOULL) |
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check_function_exists(sysmp HAVE_SYSMP) |
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check_function_exists(table HAVE_TABLE) |
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chuckv |
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gezelter |
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FIND_PACKAGE(Perl) |
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IF(PERL_FOUND) |
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SET(PERL ${PERL_EXECUTABLE}) |
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ELSE(PERL_FOUND) |
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MESSAGE(STATUS "Failed to find perl") |
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ENDIF(PERL_FOUND) |
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FIND_PACKAGE(PythonInterp) |
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IF(PYTHON_EXECUTABLE) |
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SET(PYTHON ${PYTHON_EXECUTABLE}) |
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ELSE(PYTHON_EXECUTABLE) |
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MESSAGE(STATUS "Failed to find python") |
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ENDIF(PYTHON_EXECUTABLE) |
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SET(PERL_INSTALLDIRS "site" CACHE STRING "Perl installation locations") |
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chuckv |
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configure_file ( |
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"${PROJECT_SOURCE_DIR}/src/config.h.cmake" |
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"${PROJECT_SOURCE_DIR}/src/config.h" |
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) |
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include_directories (${PROJECT_SOURCE_DIR}/src) |
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#CONFIGURE_FILE(${CMAKE_CURRENT_SOURCE_DIR}/config.h.in ${CMAKE_CURRENT_BINARY_DIR}/config.h) |
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chuckv |
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#Add executables for build |
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gezelter |
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set (PROGRAMS |
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openmd |
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openmd_MPI |
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Dump2XYZ |
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simpleBuilder |
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StaticProps |
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DynamicProps |
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randomBuilder |
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nanoparticleBuilder |
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thermalizer |
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atom2md |
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Hydro) |
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chuckv |
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gezelter |
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set(SOURCE |
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src/antlr/ANTLRUtil.cpp |
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src/antlr/ASTFactory.cpp |
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src/antlr/ASTNULLType.cpp |
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src/antlr/ASTRefCount.cpp |
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src/antlr/BaseAST.cpp |
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src/antlr/BitSet.cpp |
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src/antlr/CharBuffer.cpp |
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src/antlr/CharScanner.cpp |
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src/antlr/CommonAST.cpp |
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src/antlr/CommonASTWithHiddenTokens.cpp |
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src/antlr/CommonHiddenStreamToken.cpp |
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src/antlr/CommonToken.cpp |
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src/antlr/InputBuffer.cpp |
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src/antlr/LLkParser.cpp |
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src/antlr/MismatchedCharException.cpp |
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src/antlr/MismatchedTokenException.cpp |
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src/antlr/NoViableAltException.cpp |
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src/antlr/NoViableAltForCharException.cpp |
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src/antlr/Parser.cpp |
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src/antlr/RecognitionException.cpp |
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src/antlr/String.cpp |
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src/antlr/Token.cpp |
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src/antlr/TokenBuffer.cpp |
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src/antlr/TokenRefCount.cpp |
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src/antlr/TokenStreamBasicFilter.cpp |
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src/antlr/TokenStreamHiddenTokenFilter.cpp |
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src/antlr/TokenStreamRewriteEngine.cpp |
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src/antlr/TokenStreamSelector.cpp |
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src/antlr/TreeParser.cpp |
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src/brains/BlockSnapshotManager.cpp |
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src/brains/DataStorage.cpp |
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src/brains/MoleculeCreator.cpp |
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src/brains/PairList.cpp |
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src/brains/Register.cpp |
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src/brains/SimSnapshotManager.cpp |
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src/brains/Snapshot.cpp |
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src/brains/Stats.cpp |
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src/constraints/Rattle.cpp |
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src/hydrodynamics/Ellipsoid.cpp |
211 |
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src/hydrodynamics/HydroProp.cpp |
212 |
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src/hydrodynamics/Sphere.cpp |
213 |
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src/integrators/DLM.cpp |
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src/integrators/Integrator.cpp |
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src/integrators/IntegratorFactory.cpp |
216 |
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src/integrators/LangevinDynamics.cpp |
217 |
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src/integrators/LDForceManager.cpp |
218 |
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src/integrators/NgammaT.cpp |
219 |
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src/integrators/NPAT.cpp |
220 |
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src/integrators/NPrT.cpp |
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src/integrators/NPT.cpp |
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src/integrators/NPTf.cpp |
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src/integrators/NPTi.cpp |
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src/integrators/NPTsz.cpp |
225 |
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src/integrators/NPTxyz.cpp |
226 |
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src/integrators/NVE.cpp |
227 |
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src/integrators/NVT.cpp |
228 |
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src/integrators/VelocityVerletIntegrator.cpp |
229 |
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src/io/AtomTypesSectionParser.cpp |
230 |
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src/io/BaseAtomTypesSectionParser.cpp |
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src/io/BendTypesSectionParser.cpp |
232 |
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src/io/BondTypesSectionParser.cpp |
233 |
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src/io/ChargeAtomTypesSectionParser.cpp |
234 |
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src/io/DirectionalAtomTypesSectionParser.cpp |
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src/io/EAMAtomTypesSectionParser.cpp |
236 |
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src/io/ForceFieldOptions.cpp |
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src/io/GayBerneAtomTypesSectionParser.cpp |
238 |
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src/io/Globals.cpp |
239 |
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src/io/gzstream.cpp |
240 |
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src/io/InversionTypesSectionParser.cpp |
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src/io/LennardJonesAtomTypesSectionParser.cpp |
242 |
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src/io/MultipoleAtomTypesSectionParser.cpp |
243 |
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src/io/NonBondedInteractionsSectionParser.cpp |
244 |
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src/io/OptionSectionParser.cpp |
245 |
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src/io/ParamConstraint.cpp |
246 |
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src/io/SCAtomTypesSectionParser.cpp |
247 |
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src/io/SectionParser.cpp |
248 |
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src/io/SectionParserManager.cpp |
249 |
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src/io/ShapeAtomTypesSectionParser.cpp |
250 |
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src/io/StickyAtomTypesSectionParser.cpp |
251 |
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src/io/StickyPowerAtomTypesSectionParser.cpp |
252 |
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src/io/TorsionTypesSectionParser.cpp |
253 |
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src/io/ZConsReader.cpp |
254 |
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src/lattice/CubicLattice.cpp |
255 |
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src/lattice/FCCLattice.cpp |
256 |
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src/lattice/Lattice.cpp |
257 |
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src/lattice/LatticeFactory.cpp |
258 |
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src/lattice/shapedLattice.cpp |
259 |
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src/math/ChebyshevT.cpp |
260 |
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src/math/ChebyshevU.cpp |
261 |
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src/math/CubicSpline.cpp |
262 |
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src/math/LegendrePolynomial.cpp |
263 |
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src/math/RealSphericalHarmonic.cpp |
264 |
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src/math/RMSD.cpp |
265 |
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src/math/SeqRandNumGen.cpp |
266 |
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src/math/SphericalHarmonic.cpp |
267 |
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src/math/Wigner3jm.cpp |
268 |
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src/mdParser/FilenameObserver.cpp |
269 |
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src/mdParser/MDLexer.cpp |
270 |
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src/mdParser/MDParser.cpp |
271 |
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src/mdParser/MDTreeParser.cpp |
272 |
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src/minimizers/MinimizerFactory.cpp |
273 |
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src/minimizers/MinimizerParameterSet.cpp |
274 |
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src/nonbonded/EAM.cpp |
275 |
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src/nonbonded/Electrostatic.cpp |
276 |
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src/nonbonded/GB.cpp |
277 |
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src/nonbonded/InteractionManager.cpp |
278 |
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src/nonbonded/LJ.cpp |
279 |
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src/nonbonded/MAW.cpp |
280 |
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src/nonbonded/Morse.cpp |
281 |
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src/nonbonded/RepulsivePower.cpp |
282 |
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src/nonbonded/SC.cpp |
283 |
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src/nonbonded/Sticky.cpp |
284 |
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src/nonbonded/SwitchingFunction.cpp |
285 |
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src/primitives/Atom.cpp |
286 |
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src/primitives/Bend.cpp |
287 |
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src/primitives/DirectionalAtom.cpp |
288 |
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src/primitives/GhostBend.cpp |
289 |
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src/primitives/GhostTorsion.cpp |
290 |
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src/primitives/Inversion.cpp |
291 |
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src/primitives/Molecule.cpp |
292 |
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src/primitives/RigidBody.cpp |
293 |
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src/primitives/StuntDouble.cpp |
294 |
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src/primitives/Torsion.cpp |
295 |
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src/primitives/UreyBradleyBend.cpp |
296 |
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src/restraints/MolecularRestraint.cpp |
297 |
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src/restraints/ObjectRestraint.cpp |
298 |
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src/selection/DistanceFinder.cpp |
299 |
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src/selection/HullFinder.cpp |
300 |
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src/selection/IndexFinder.cpp |
301 |
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src/selection/NameFinder.cpp |
302 |
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src/selection/SelectionCompiler.cpp |
303 |
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src/selection/SelectionEvaluator.cpp |
304 |
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src/selection/SelectionManager.cpp |
305 |
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src/selection/SelectionToken.cpp |
306 |
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src/selection/TokenMap.cpp |
307 |
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src/types/AtomStamp.cpp |
308 |
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src/types/AtomType.cpp |
309 |
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src/types/BendStamp.cpp |
310 |
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src/types/BondStamp.cpp |
311 |
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src/types/CharmmTorsionType.cpp |
312 |
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src/types/Component.cpp |
313 |
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src/types/CutoffGroupStamp.cpp |
314 |
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src/types/DirectionalAtomType.cpp |
315 |
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src/types/FragmentStamp.cpp |
316 |
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src/types/ImproperCosineInversionType.cpp |
317 |
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src/types/InversionStamp.cpp |
318 |
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src/types/MoleculeStamp.cpp |
319 |
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src/types/NonBondedInteractionType.cpp |
320 |
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src/types/RestraintStamp.cpp |
321 |
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src/types/RigidBodyStamp.cpp |
322 |
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src/types/ShapeAtomType.cpp |
323 |
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src/types/TorsionStamp.cpp |
324 |
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src/types/ZconsStamp.cpp |
325 |
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src/UseTheForce/Amber_FF.cpp |
326 |
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src/UseTheForce/CLAYFF.cpp |
327 |
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src/UseTheForce/DUFF.cpp |
328 |
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src/UseTheForce/EADM_FF.cpp |
329 |
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src/UseTheForce/EAM_FF.cpp |
330 |
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src/UseTheForce/ForceField.cpp |
331 |
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src/UseTheForce/ForceFieldFactory.cpp |
332 |
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src/UseTheForce/MnM_FF.cpp |
333 |
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src/UseTheForce/SC_FF.cpp |
334 |
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src/UseTheForce/SHAPES_FF.cpp |
335 |
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src/utils/ElementsTable.cpp |
336 |
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src/utils/MoLocator.cpp |
337 |
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src/utils/OpenMDBitSet.cpp |
338 |
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src/utils/PropertyMap.cpp |
339 |
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src/utils/StringTokenizer.cpp |
340 |
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src/utils/StringUtils.cpp |
341 |
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src/utils/Trim.cpp |
342 |
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src/utils/Utility.cpp |
343 |
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src/utils/wildcards.cpp |
344 |
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src/visitors/AtomNameVisitor.cpp |
345 |
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src/visitors/AtomVisitor.cpp |
346 |
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src/visitors/CompositeVisitor.cpp |
347 |
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src/visitors/LipidTransVisitor.cpp |
348 |
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src/visitors/OtherVisitor.cpp |
349 |
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src/visitors/ReplacementVisitor.cpp |
350 |
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src/visitors/RigidBodyVisitor.cpp |
351 |
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src/visitors/ZconsVisitor.cpp |
352 |
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) |
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chuckv |
1466 |
|
354 |
gezelter |
1639 |
set( PARALLEL_SOURCE |
355 |
|
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src/brains/ForceManager.cpp |
356 |
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|
src/brains/SimCreator.cpp |
357 |
|
|
src/brains/SimInfo.cpp |
358 |
|
|
src/brains/Thermo.cpp |
359 |
|
|
src/constraints/ZconstraintForceManager.cpp |
360 |
|
|
src/integrators/RNEMD.cpp |
361 |
|
|
src/integrators/Velocitizer.cpp |
362 |
|
|
src/io/DumpReader.cpp |
363 |
|
|
src/io/DumpWriter.cpp |
364 |
|
|
src/io/RestReader.cpp |
365 |
|
|
src/io/RestWriter.cpp |
366 |
|
|
src/io/StatWriter.cpp |
367 |
|
|
src/io/ZConsWriter.cpp |
368 |
|
|
src/io/ifstrstream.cpp |
369 |
|
|
src/math/ParallelRandNumGen.cpp |
370 |
|
|
src/minimizers/CGFamilyMinimizer.cpp |
371 |
|
|
src/minimizers/Minimizer.cpp |
372 |
|
|
src/minimizers/PRCG.cpp |
373 |
|
|
src/minimizers/SDMinimizer.cpp |
374 |
|
|
src/parallel/ForceDecomposition.cpp |
375 |
|
|
src/parallel/ForceMatrixDecomposition.cpp |
376 |
|
|
src/restraints/RestraintForceManager.cpp |
377 |
|
|
src/restraints/ThermoIntegrationForceManager.cpp |
378 |
|
|
src/utils/ProgressBar.cpp |
379 |
|
|
src/utils/simError.c |
380 |
|
|
) |
381 |
|
|
|
382 |
|
|
IF(QHULL_FOUND) |
383 |
|
|
set(QHULL_SOURCE |
384 |
|
|
src/integrators/LangevinHullDynamics.cpp |
385 |
|
|
src/math/Triangle.cpp |
386 |
|
|
) |
387 |
|
|
set(QHULL_PARALLEL_SOURCE |
388 |
|
|
src/integrators/LangevinHullForceManager.cpp |
389 |
|
|
src/math/ConvexHull.cpp |
390 |
|
|
src/math/AlphaHull.cpp |
391 |
|
|
) |
392 |
|
|
ENDIF(QHULL_FOUND) |
393 |
|
|
|
394 |
|
|
add_library(openmd_core STATIC ${SOURCE} ${QHULL_SOURCE} ) |
395 |
|
|
add_library(openmd_single STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} ) |
396 |
|
|
|
397 |
|
|
IF(MPI_FOUND) |
398 |
|
|
add_library(openmd_parallel STATIC ${PARALLEL_SOURCE} ${QHULL_PARALLEL_SOURCE} ) |
399 |
|
|
set_target_properties(openmd_parallel PROPERTIES |
400 |
|
|
COMPILE_DEFINITIONS IS_MPI |
401 |
|
|
) |
402 |
|
|
ENDIF(MPI_FOUND) |
403 |
|
|
|
404 |
|
|
add_executable(openmd src/applications/openmd/openmd.cpp) |
405 |
|
|
target_link_libraries(openmd openmd_single openmd_core openmd_single openmd_core) |
406 |
|
|
|
407 |
|
|
if (MPI_FOUND) |
408 |
|
|
add_executable(openmd_MPI src/applications/openmd/openmd.cpp) |
409 |
|
|
set_target_properties(openmd_MPI PROPERTIES |
410 |
|
|
COMPILE_DEFINITIONS IS_MPI |
411 |
|
|
) |
412 |
|
|
target_link_libraries(openmd_MPI openmd_parallel openmd_core openmd_parallel openmd_core) |
413 |
gezelter |
1647 |
INSTALL(TARGETS |
414 |
|
|
openmd_parallel openmd_MPI |
415 |
|
|
RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE |
416 |
|
|
LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ |
417 |
|
|
ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ |
418 |
|
|
) |
419 |
gezelter |
1639 |
ENDIF (MPI_FOUND) |
420 |
|
|
|
421 |
|
|
set (DUMP2XYZSOURCE |
422 |
|
|
src/applications/dump2Xyz/Dump2XYZ.cpp |
423 |
|
|
src/applications/dump2Xyz/Dump2XYZCmd.c |
424 |
|
|
) |
425 |
|
|
|
426 |
|
|
set (DYNAMICPROPSSOURCE |
427 |
|
|
src/applications/dynamicProps/ActionCorrFunc.cpp |
428 |
|
|
src/applications/dynamicProps/CrossTimeCorrFunc.cpp |
429 |
|
|
src/applications/dynamicProps/DipoleCorrFunc.cpp |
430 |
|
|
src/applications/dynamicProps/DirectionalRCorrFunc.cpp |
431 |
|
|
src/applications/dynamicProps/DynamicProps.cpp |
432 |
|
|
src/applications/dynamicProps/EnergyCorrFunc.cpp |
433 |
|
|
src/applications/dynamicProps/FrameTimeCorrFunc.cpp |
434 |
|
|
src/applications/dynamicProps/LegendreCorrFunc.cpp |
435 |
|
|
src/applications/dynamicProps/MomentumCorrFunc.cpp |
436 |
|
|
src/applications/dynamicProps/ParticleTimeCorrFunc.cpp |
437 |
|
|
src/applications/dynamicProps/RadialRCorrFunc.cpp |
438 |
|
|
src/applications/dynamicProps/RCorrFunc.cpp |
439 |
|
|
src/applications/dynamicProps/StressCorrFunc.cpp |
440 |
|
|
src/applications/dynamicProps/SystemDipoleCorrFunc.cpp |
441 |
|
|
src/applications/dynamicProps/ThetaCorrFunc.cpp |
442 |
|
|
src/applications/dynamicProps/TimeCorrFunc.cpp |
443 |
|
|
src/applications/dynamicProps/VCorrFunc.cpp |
444 |
|
|
src/applications/dynamicProps/DynamicPropsCmd.c |
445 |
|
|
) |
446 |
|
|
|
447 |
|
|
set (HYDROSOURCE |
448 |
|
|
src/applications/hydrodynamics/AnalyticalModel.cpp |
449 |
|
|
src/applications/hydrodynamics/ApproximationModel.cpp |
450 |
|
|
src/applications/hydrodynamics/BeadModel.cpp |
451 |
|
|
src/applications/hydrodynamics/CompositeShape.cpp |
452 |
|
|
src/applications/hydrodynamics/Hydro.cpp |
453 |
|
|
src/applications/hydrodynamics/HydrodynamicsModel.cpp |
454 |
|
|
src/applications/hydrodynamics/HydrodynamicsModelFactory.cpp |
455 |
|
|
src/applications/hydrodynamics/RoughShell.cpp |
456 |
|
|
src/applications/hydrodynamics/ShapeBuilder.cpp |
457 |
|
|
src/applications/hydrodynamics/HydroCmd.c |
458 |
|
|
) |
459 |
|
|
|
460 |
|
|
set (STATICPROPSSOURCE |
461 |
|
|
src/applications/staticProps/AngleR.cpp |
462 |
|
|
src/applications/staticProps/BondAngleDistribution.cpp |
463 |
|
|
src/applications/staticProps/BondOrderParameter.cpp |
464 |
|
|
src/applications/staticProps/BOPofR.cpp |
465 |
|
|
src/applications/staticProps/DensityPlot.cpp |
466 |
|
|
src/applications/staticProps/GofAngle2.cpp |
467 |
|
|
src/applications/staticProps/GofR.cpp |
468 |
|
|
src/applications/staticProps/GofRAngle.cpp |
469 |
|
|
src/applications/staticProps/GofRZ.cpp |
470 |
|
|
src/applications/staticProps/GofXyz.cpp |
471 |
|
|
src/applications/staticProps/GofZ.cpp |
472 |
|
|
src/applications/staticProps/Hxy.cpp |
473 |
|
|
src/applications/staticProps/NanoLength.cpp |
474 |
|
|
src/applications/staticProps/NanoVolume.cpp |
475 |
|
|
src/applications/staticProps/ObjectCount.cpp |
476 |
|
|
src/applications/staticProps/P2OrderParameter.cpp |
477 |
|
|
src/applications/staticProps/pAngle.cpp |
478 |
|
|
src/applications/staticProps/RadialDistrFunc.cpp |
479 |
|
|
src/applications/staticProps/RhoR.cpp |
480 |
|
|
src/applications/staticProps/RhoZ.cpp |
481 |
|
|
src/applications/staticProps/RippleOP.cpp |
482 |
|
|
src/applications/staticProps/SCDOrderParameter.cpp |
483 |
|
|
src/applications/staticProps/StaticProps.cpp |
484 |
|
|
src/applications/staticProps/TetrahedralityParam.cpp |
485 |
|
|
src/applications/staticProps/TwoDGofR.cpp |
486 |
|
|
src/applications/staticProps/StaticPropsCmd.c |
487 |
|
|
) |
488 |
|
|
|
489 |
|
|
set (NANOPARTICLEBUILDERSOURCE |
490 |
|
|
src/applications/nanoparticleBuilder/nanoparticleBuilder.cpp |
491 |
|
|
src/applications/nanoparticleBuilder/shapedLatticeSpherical.cpp |
492 |
|
|
src/applications/nanoparticleBuilder/nanoparticleBuilderCmd.c |
493 |
|
|
) |
494 |
|
|
|
495 |
|
|
set (RANDOMBUILDERSOURCE |
496 |
|
|
src/applications/randomBuilder/randomBuilder.cpp |
497 |
|
|
src/applications/randomBuilder/randomBuilderCmd.c |
498 |
|
|
) |
499 |
|
|
|
500 |
|
|
set(SIMPLEBUILDERSOURCE |
501 |
|
|
src/applications/simpleBuilder/simpleBuilder.cpp |
502 |
|
|
src/applications/simpleBuilder/simpleBuilderCmd.c |
503 |
|
|
) |
504 |
|
|
|
505 |
|
|
set(THERMALIZERSOURCE |
506 |
|
|
src/applications/thermalizer/thermalizer.cpp |
507 |
|
|
src/applications/thermalizer/thermalizerCmd.c |
508 |
|
|
) |
509 |
|
|
|
510 |
|
|
add_executable(Dump2XYZ ${DUMP2XYZSOURCE}) |
511 |
|
|
target_link_libraries(Dump2XYZ openmd_single openmd_core openmd_single openmd_core) |
512 |
|
|
add_executable(DynamicProps ${DYNAMICPROPSSOURCE}) |
513 |
|
|
target_link_libraries(DynamicProps openmd_single openmd_core openmd_single openmd_core) |
514 |
|
|
add_executable(Hydro ${HYDROSOURCE}) |
515 |
|
|
target_link_libraries(Hydro openmd_single openmd_core openmd_single openmd_core) |
516 |
|
|
add_executable(StaticProps ${STATICPROPSSOURCE}) |
517 |
|
|
target_link_libraries(StaticProps openmd_single openmd_core openmd_single openmd_core) |
518 |
|
|
add_executable(nanoparticleBuilder ${NANOPARTICLEBUILDERSOURCE}) |
519 |
|
|
target_link_libraries(nanoparticleBuilder openmd_single openmd_core openmd_single openmd_core) |
520 |
|
|
add_executable(randomBuilder ${RANDOMBUILDERSOURCE}) |
521 |
|
|
target_link_libraries(randomBuilder openmd_single openmd_core openmd_single openmd_core) |
522 |
|
|
add_executable(simpleBuilder ${SIMPLEBUILDERSOURCE}) |
523 |
|
|
target_link_libraries(simpleBuilder openmd_single openmd_core openmd_single openmd_core) |
524 |
|
|
add_executable(thermalizer ${THERMALIZERSOURCE}) |
525 |
|
|
target_link_libraries(thermalizer openmd_single openmd_core openmd_single openmd_core) |
526 |
|
|
|
527 |
|
|
if (OPENBABEL2_FOUND) |
528 |
|
|
set (ATOM2MDSOURCE |
529 |
|
|
src/applications/atom2md/atom2md.cpp |
530 |
|
|
src/applications/atom2md/openmdformat.cpp |
531 |
|
|
) |
532 |
|
|
add_executable(atom2md ${ATOM2MDSOURCE}) |
533 |
|
|
target_link_libraries(atom2md openmd_single openmd_core openmd_single openmd_core ${OPENBABEL2_LIBRARIES}) |
534 |
gezelter |
1647 |
INSTALL(TARGETS atom2md RUNTIME DESTINATION bin |
535 |
|
|
PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) |
536 |
gezelter |
1639 |
ENDIF (OPENBABEL2_FOUND) |
537 |
|
|
|
538 |
|
|
|
539 |
|
|
set(PY_FILES |
540 |
|
|
src/applications/hydrodynamics/diffExplainer |
541 |
|
|
src/applications/utilities/affineScale |
542 |
|
|
src/applications/utilities/dumpConverter |
543 |
|
|
src/applications/utilities/md-solvator |
544 |
|
|
src/applications/utilities/md2md |
545 |
|
|
src/applications/utilities/mdSplit |
546 |
|
|
src/applications/utilities/principalAxisCalculator |
547 |
|
|
src/applications/utilities/stat2visco |
548 |
|
|
src/applications/utilities/waterRotator |
549 |
|
|
) |
550 |
|
|
|
551 |
|
|
IF(PYTHON_EXECUTABLE) |
552 |
|
|
foreach(PY_FILE ${PY_FILES}) |
553 |
gezelter |
1647 |
GET_FILENAME_COMPONENT(filename "${PY_FILE}" NAME) |
554 |
|
|
CONFIGURE_FILE(${PY_FILE} |
555 |
|
|
"${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" @ONLY) |
556 |
|
|
INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" |
557 |
|
|
DESTINATION bin |
558 |
|
|
PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) |
559 |
gezelter |
1639 |
endforeach(PY_FILE) |
560 |
|
|
ENDIF(PYTHON_EXECUTABLE) |
561 |
|
|
|
562 |
|
|
set(PERL_FILES |
563 |
|
|
src/applications/utilities/solvator |
564 |
|
|
src/applications/utilities/waterBoxer |
565 |
|
|
) |
566 |
|
|
|
567 |
|
|
IF(PERL_FOUND) |
568 |
|
|
foreach(PERL_FILE ${PERL_FILES}) |
569 |
gezelter |
1647 |
GET_FILENAME_COMPONENT(filename "${PERL_FILE}" NAME) |
570 |
|
|
configure_file(${PERL_FILE} "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" @ONLY) |
571 |
|
|
INSTALL(FILES "${CMAKE_RUNTIME_OUTPUT_DIRECTORY}/${filename}" |
572 |
|
|
DESTINATION bin |
573 |
|
|
PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE) |
574 |
|
|
|
575 |
gezelter |
1639 |
endforeach(PERL_FILE) |
576 |
|
|
ENDIF(PERL_FOUND) |
577 |
gezelter |
1647 |
|
578 |
|
|
INSTALL(FILES AUTHORS LICENSE README DESTINATION . |
579 |
|
|
PERMISSIONS OWNER_READ GROUP_READ WORLD_READ) |
580 |
|
|
INSTALL(TARGETS |
581 |
|
|
openmd_core |
582 |
|
|
openmd_single |
583 |
|
|
openmd |
584 |
|
|
Dump2XYZ |
585 |
|
|
simpleBuilder |
586 |
|
|
StaticProps |
587 |
|
|
DynamicProps |
588 |
|
|
randomBuilder |
589 |
|
|
nanoparticleBuilder |
590 |
|
|
thermalizer |
591 |
|
|
Hydro |
592 |
|
|
RUNTIME DESTINATION bin PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE |
593 |
|
|
LIBRARY DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ |
594 |
|
|
ARCHIVE DESTINATION lib PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ |
595 |
|
|
) |
596 |
|
|
|
597 |
|
|
install(DIRECTORY forceFields/ |
598 |
|
|
DESTINATION forceFields |
599 |
gezelter |
1650 |
DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE |
600 |
|
|
PATTERN ".svn" EXCLUDE |
601 |
gezelter |
1647 |
PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ) |
602 |
|
|
install(DIRECTORY samples/ |
603 |
|
|
DESTINATION samples |
604 |
gezelter |
1650 |
DIRECTORY_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE |
605 |
|
|
PATTERN ".svn" EXCLUDE |
606 |
gezelter |
1647 |
PERMISSIONS OWNER_READ OWNER_WRITE GROUP_READ WORLD_READ) |