diff --git a/CMakeLists.txt b/CMakeLists.txt index 41aa819..f7e49e1 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -17,6 +17,7 @@ set(IDA_INCLUDES ${IDA_DIR}/include) set(GSL_INCLUDES /usr/include/gsl) set(COOLPROP_INCLUDES ${COOLPROP_DIR}/include) set(FMT_INCLUDES ${FMT_DIR}/include) +set(EIGEN_INCLUDES /backup/weiye/eigen-3.4.0) # Search for source files aux_source_directory(${PROJECT_SOURCE_DIR}/src SRC_LIST) @@ -32,7 +33,7 @@ target_link_libraries(DropletCombustion # Include directories target_include_directories(DropletCombustion - PRIVATE ${PROJECT_SOURCE_DIR}/include ${CANTERA_INCLUDES} ${IDA_INCLUDES} ${GSL_INCLUDES} ${COOLPROP_INCLUDES} ${FMT_INCLUDES}) + PRIVATE ${PROJECT_SOURCE_DIR}/include ${CANTERA_INCLUDES} ${IDA_INCLUDES} ${GSL_INCLUDES} ${COOLPROP_INCLUDES} ${FMT_INCLUDES} ${EIGEN_INCLUDES}) # Set the output path set(EXECUTABLE_OUTPUT_PATH ${PROJECT_SOURCE_DIR}/bin) diff --git a/bin/DropletCombustion b/bin/DLTORC_0.5C3_EP similarity index 92% rename from bin/DropletCombustion rename to bin/DLTORC_0.5C3_EP index a043808..f4cb74f 100755 Binary files a/bin/DropletCombustion and b/bin/DLTORC_0.5C3_EP differ diff --git a/bin/DLTORC_2.0C3_EP b/bin/DLTORC_2.0C3_EP new file mode 100755 index 0000000..f0eee82 Binary files /dev/null and b/bin/DLTORC_2.0C3_EP differ diff --git a/bin/DLTORC_C7_EP b/bin/DLTORC_C7_EP new file mode 100755 index 0000000..337559f Binary files /dev/null and b/bin/DLTORC_C7_EP differ diff --git a/bin/DLTORC_UNIFAC b/bin/DLTORC_UNIFAC new file mode 100755 index 0000000..dc82315 Binary files /dev/null and b/bin/DLTORC_UNIFAC differ diff --git a/bin/DropletCombustion_non_floor b/bin/DropletCombustion_non_floor new file mode 100755 index 0000000..e729f3e Binary files /dev/null and b/bin/DropletCombustion_non_floor differ diff --git a/build/CMakeCache.txt b/build/CMakeCache.txt index fbc4f53..8aadaa3 100644 --- a/build/CMakeCache.txt +++ b/build/CMakeCache.txt @@ -1,5 +1,5 @@ # This is the CMakeCache file. -# For build in directory: /backup/weiye/src_binary_droplet/build +# For build in directory: /backup/weiye/src_binary_droplet_COPY/build # It was generated by CMake: /usr/bin/cmake # You can edit this file to change values found and used by cmake. # If you do not want to change any of the values, simply exit the editor. @@ -210,10 +210,10 @@ CMAKE_STRIP:FILEPATH=/usr/bin/strip CMAKE_VERBOSE_MAKEFILE:BOOL=FALSE //Value Computed by CMake -demo_BINARY_DIR:STATIC=/backup/weiye/src_binary_droplet/build +demo_BINARY_DIR:STATIC=/backup/weiye/src_binary_droplet_COPY/build //Value Computed by CMake -demo_SOURCE_DIR:STATIC=/backup/weiye/src_binary_droplet +demo_SOURCE_DIR:STATIC=/backup/weiye/src_binary_droplet_COPY ######################## @@ -225,7 +225,7 @@ CMAKE_ADDR2LINE-ADVANCED:INTERNAL=1 //ADVANCED property for variable: CMAKE_AR CMAKE_AR-ADVANCED:INTERNAL=1 //This is the directory where this CMakeCache.txt was created -CMAKE_CACHEFILE_DIR:INTERNAL=/backup/weiye/src_binary_droplet/build +CMAKE_CACHEFILE_DIR:INTERNAL=/backup/weiye/src_binary_droplet_COPY/build //Major version of cmake used to create the current loaded cache CMAKE_CACHE_MAJOR_VERSION:INTERNAL=3 //Minor version of cmake used to create the current loaded cache @@ -302,7 +302,7 @@ CMAKE_GENERATOR_PLATFORM:INTERNAL= CMAKE_GENERATOR_TOOLSET:INTERNAL= //Source directory with the top level CMakeLists.txt file for this // project -CMAKE_HOME_DIRECTORY:INTERNAL=/backup/weiye/src_binary_droplet +CMAKE_HOME_DIRECTORY:INTERNAL=/backup/weiye/src_binary_droplet_COPY //Install .so files without execute permission. CMAKE_INSTALL_SO_NO_EXE:INTERNAL=0 //ADVANCED property for variable: CMAKE_LINKER diff --git a/build/CMakeFiles/CMakeDirectoryInformation.cmake b/build/CMakeFiles/CMakeDirectoryInformation.cmake index 36c6124..96c4b41 100644 --- a/build/CMakeFiles/CMakeDirectoryInformation.cmake +++ b/build/CMakeFiles/CMakeDirectoryInformation.cmake @@ -2,8 +2,8 @@ # Generated by "Unix Makefiles" Generator, CMake Version 3.16 # Relative path conversion top directories. -set(CMAKE_RELATIVE_PATH_TOP_SOURCE "/backup/weiye/src_binary_droplet") -set(CMAKE_RELATIVE_PATH_TOP_BINARY "/backup/weiye/src_binary_droplet/build") +set(CMAKE_RELATIVE_PATH_TOP_SOURCE "/backup/weiye/src_binary_droplet_COPY") +set(CMAKE_RELATIVE_PATH_TOP_BINARY "/backup/weiye/src_binary_droplet_COPY/build") # Force unix paths in dependencies. set(CMAKE_FORCE_UNIX_PATHS 1) diff --git a/build/CMakeFiles/CMakeOutput.log b/build/CMakeFiles/CMakeOutput.log index a4c28d4..e04a84e 100644 --- a/build/CMakeFiles/CMakeOutput.log +++ b/build/CMakeFiles/CMakeOutput.log @@ -10,7 +10,7 @@ The output was: Compilation of the C compiler identification source "CMakeCCompilerId.c" produced "a.out" -The C compiler identification is GNU, found in "/backup/weiye/src_binary_droplet/build/CMakeFiles/3.16.4/CompilerIdC/a.out" +The C compiler identification is GNU, found in "/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/3.16.4/CompilerIdC/a.out" Compiling the CXX compiler identification source file "CMakeCXXCompilerId.cpp" succeeded. Compiler: /usr/bin/c++ @@ -23,37 +23,37 @@ The output was: Compilation of the CXX compiler identification source "CMakeCXXCompilerId.cpp" produced "a.out" -The CXX compiler identification is GNU, found in "/backup/weiye/src_binary_droplet/build/CMakeFiles/3.16.4/CompilerIdCXX/a.out" +The CXX compiler identification is GNU, found in "/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/3.16.4/CompilerIdCXX/a.out" Determining if the C compiler works passed with the following output: -Change Dir: /backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp +Change Dir: /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp -Run Build Command(s):/usr/bin/make cmTC_a862c/fast && /usr/bin/make -f CMakeFiles/cmTC_a862c.dir/build.make CMakeFiles/cmTC_a862c.dir/build -make[1]: Entering directory '/backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp' -Building C object CMakeFiles/cmTC_a862c.dir/testCCompiler.c.o -/usr/bin/cc -o CMakeFiles/cmTC_a862c.dir/testCCompiler.c.o -c /backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp/testCCompiler.c -Linking C executable cmTC_a862c -/usr/bin/cmake -E cmake_link_script CMakeFiles/cmTC_a862c.dir/link.txt --verbose=1 -/usr/bin/cc -rdynamic CMakeFiles/cmTC_a862c.dir/testCCompiler.c.o -o cmTC_a862c -make[1]: Leaving directory '/backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp' +Run Build Command(s):/usr/bin/make cmTC_8a38a/fast && /usr/bin/make -f CMakeFiles/cmTC_8a38a.dir/build.make CMakeFiles/cmTC_8a38a.dir/build +make[1]: Entering directory '/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp' +Building C object CMakeFiles/cmTC_8a38a.dir/testCCompiler.c.o +/usr/bin/cc -o CMakeFiles/cmTC_8a38a.dir/testCCompiler.c.o -c /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp/testCCompiler.c +Linking C executable cmTC_8a38a +/usr/bin/cmake -E cmake_link_script CMakeFiles/cmTC_8a38a.dir/link.txt --verbose=1 +/usr/bin/cc -rdynamic CMakeFiles/cmTC_8a38a.dir/testCCompiler.c.o -o cmTC_8a38a +make[1]: Leaving directory '/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp' Detecting C compiler ABI info compiled with the following output: -Change Dir: /backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp +Change Dir: /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp -Run Build Command(s):/usr/bin/make cmTC_cffc1/fast && /usr/bin/make -f CMakeFiles/cmTC_cffc1.dir/build.make CMakeFiles/cmTC_cffc1.dir/build -make[1]: Entering directory '/backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp' -Building C object CMakeFiles/cmTC_cffc1.dir/CMakeCCompilerABI.c.o -/usr/bin/cc -v -o CMakeFiles/cmTC_cffc1.dir/CMakeCCompilerABI.c.o -c /usr/share/cmake-3.16/Modules/CMakeCCompilerABI.c +Run Build Command(s):/usr/bin/make cmTC_686af/fast && /usr/bin/make -f CMakeFiles/cmTC_686af.dir/build.make CMakeFiles/cmTC_686af.dir/build +make[1]: Entering directory '/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp' +Building C object CMakeFiles/cmTC_686af.dir/CMakeCCompilerABI.c.o +/usr/bin/cc -v -o CMakeFiles/cmTC_686af.dir/CMakeCCompilerABI.c.o -c /usr/share/cmake-3.16/Modules/CMakeCCompilerABI.c Using built-in specs. 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CMakeFiles/cmTC_686af.dir/CMakeCCompilerABI.c.o -lgcc --push-state --as-needed -lgcc_s --pop-state -lc -lgcc --push-state --as-needed -lgcc_s --pop-state /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/crtendS.o /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/crtn.o +COLLECT_GCC_OPTIONS='-v' '-rdynamic' '-o' 'cmTC_686af' '-mtune=generic' '-march=x86-64' +make[1]: Leaving directory '/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp' @@ -120,20 +120,20 @@ Parsed C implicit include dir info from above output: rv=done Parsed C implicit link information from above output: link line regex: [^( *|.*[/\])(ld|CMAKE_LINK_STARTFILE-NOTFOUND|([^/\]+-)?ld|collect2)[^/\]*( |$)] - ignore line: [Change Dir: /backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp] + ignore line: [Change Dir: /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp] ignore line: [] - ignore line: [Run Build Command(s):/usr/bin/make cmTC_cffc1/fast && /usr/bin/make -f CMakeFiles/cmTC_cffc1.dir/build.make CMakeFiles/cmTC_cffc1.dir/build] - 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CMakeFiles/cmTC_686af.dir/CMakeCCompilerABI.c.o -lgcc --push-state --as-needed -lgcc_s --pop-state -lc -lgcc --push-state --as-needed -lgcc_s --pop-state /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/crtendS.o /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/crtn.o] arg [/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/collect2] ==> ignore arg [-plugin] ==> ignore arg [/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/liblto_plugin.so] ==> ignore arg [-plugin-opt=/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/lto-wrapper] ==> ignore - arg [-plugin-opt=-fresolution=/tmp/cc2CE7o4.res] ==> ignore + arg [-plugin-opt=-fresolution=/tmp/ccXPYFwp.res] ==> ignore arg [-plugin-opt=-pass-through=-lgcc] ==> ignore arg [-plugin-opt=-pass-through=-lgcc_s] ==> ignore arg [-plugin-opt=-pass-through=-lc] ==> ignore @@ -194,7 +194,7 @@ Parsed C implicit link information from above output: arg [/lib64/ld-linux-x86-64.so.2] ==> ignore arg [-pie] ==> ignore arg [-o] ==> ignore - arg [cmTC_cffc1] ==> ignore + arg [cmTC_686af] ==> ignore arg [/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/Scrt1.o] ==> ignore arg [/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/crti.o] ==> ignore arg [/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/crtbeginS.o] ==> ignore @@ -208,7 +208,7 @@ Parsed C implicit link information from above output: arg [-L/opt/scientific/sundials-5.6.1/lib] ==> dir [/opt/scientific/sundials-5.6.1/lib] arg [-L.] ==> ignore arg [-L/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../..] ==> dir [/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../..] - arg [CMakeFiles/cmTC_cffc1.dir/CMakeCCompilerABI.c.o] ==> ignore + arg [CMakeFiles/cmTC_686af.dir/CMakeCCompilerABI.c.o] ==> ignore arg [-lgcc] ==> lib [gcc] arg [--push-state] ==> ignore arg [--as-needed] ==> ignore @@ -237,34 +237,34 @@ Parsed C implicit link information from above output: Determining if the CXX compiler works passed with the following output: -Change Dir: /backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp +Change Dir: /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp -Run Build Command(s):/usr/bin/make cmTC_23945/fast && /usr/bin/make -f CMakeFiles/cmTC_23945.dir/build.make CMakeFiles/cmTC_23945.dir/build -make[1]: Entering directory '/backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp' -Building CXX object CMakeFiles/cmTC_23945.dir/testCXXCompiler.cxx.o -/usr/bin/c++ -o CMakeFiles/cmTC_23945.dir/testCXXCompiler.cxx.o -c /backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp/testCXXCompiler.cxx -Linking CXX executable cmTC_23945 -/usr/bin/cmake -E cmake_link_script CMakeFiles/cmTC_23945.dir/link.txt --verbose=1 -/usr/bin/c++ -rdynamic CMakeFiles/cmTC_23945.dir/testCXXCompiler.cxx.o -o cmTC_23945 -make[1]: Leaving directory '/backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp' +Run Build Command(s):/usr/bin/make cmTC_9ab69/fast && /usr/bin/make -f CMakeFiles/cmTC_9ab69.dir/build.make CMakeFiles/cmTC_9ab69.dir/build +make[1]: Entering directory '/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp' +Building CXX object CMakeFiles/cmTC_9ab69.dir/testCXXCompiler.cxx.o +/usr/bin/c++ -o CMakeFiles/cmTC_9ab69.dir/testCXXCompiler.cxx.o -c /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp/testCXXCompiler.cxx +Linking CXX executable cmTC_9ab69 +/usr/bin/cmake -E cmake_link_script CMakeFiles/cmTC_9ab69.dir/link.txt --verbose=1 +/usr/bin/c++ -rdynamic CMakeFiles/cmTC_9ab69.dir/testCXXCompiler.cxx.o -o cmTC_9ab69 +make[1]: Leaving directory '/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp' Detecting CXX compiler ABI info compiled with the following output: -Change Dir: /backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp +Change Dir: /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp -Run Build Command(s):/usr/bin/make cmTC_6e8aa/fast && /usr/bin/make -f CMakeFiles/cmTC_6e8aa.dir/build.make CMakeFiles/cmTC_6e8aa.dir/build -make[1]: Entering directory '/backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp' -Building CXX object CMakeFiles/cmTC_6e8aa.dir/CMakeCXXCompilerABI.cpp.o -/usr/bin/c++ -v -o CMakeFiles/cmTC_6e8aa.dir/CMakeCXXCompilerABI.cpp.o -c /usr/share/cmake-3.16/Modules/CMakeCXXCompilerABI.cpp +Run Build Command(s):/usr/bin/make cmTC_cdefd/fast && /usr/bin/make -f CMakeFiles/cmTC_cdefd.dir/build.make CMakeFiles/cmTC_cdefd.dir/build +make[1]: Entering directory '/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/CMakeTmp' +Building CXX object CMakeFiles/cmTC_cdefd.dir/CMakeCXXCompilerABI.cpp.o +/usr/bin/c++ -v -o CMakeFiles/cmTC_cdefd.dir/CMakeCXXCompilerABI.cpp.o -c /usr/share/cmake-3.16/Modules/CMakeCXXCompilerABI.cpp Using built-in specs. 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COLLECT_GCC=/usr/bin/c++ COLLECT_LTO_WRAPPER=/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/lto-wrapper @@ -306,10 +306,10 @@ Thread model: posix gcc version 9.2.1 20200130 (Arch Linux 9.2.1+20200130-2) COMPILER_PATH=/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/:/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/:/usr/lib/gcc/x86_64-pc-linux-gnu/:/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/:/usr/lib/gcc/x86_64-pc-linux-gnu/ LIBRARY_PATH=/opt/scientific/sundials-5.6.1/lib/../lib/:/opt/scientific/sundials-5.6.1/lib/../lib/:/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/:/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/:/lib/../lib/:/usr/lib/../lib/:/opt/scientific/sundials-5.6.1/lib/:/opt/scientific/sundials-5.6.1/lib/:./:/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../:/lib/:/usr/lib/ -COLLECT_GCC_OPTIONS='-v' '-rdynamic' '-o' 'cmTC_6e8aa' '-shared-libgcc' '-mtune=generic' '-march=x86-64' - /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/collect2 -plugin /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/liblto_plugin.so -plugin-opt=/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/lto-wrapper -plugin-opt=-fresolution=/tmp/ccmZFsdF.res -plugin-opt=-pass-through=-lgcc_s -plugin-opt=-pass-through=-lgcc -plugin-opt=-pass-through=-lc -plugin-opt=-pass-through=-lgcc_s -plugin-opt=-pass-through=-lgcc --build-id --eh-frame-hdr --hash-style=gnu -m elf_x86_64 -export-dynamic -dynamic-linker /lib64/ld-linux-x86-64.so.2 -pie -o cmTC_6e8aa /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/Scrt1.o /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/crti.o /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/crtbeginS.o -L/opt/scientific/sundials-5.6.1/lib/../lib -L/opt/scientific/sundials-5.6.1/lib/../lib -L/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1 -L/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib -L/lib/../lib -L/usr/lib/../lib -L/opt/scientific/sundials-5.6.1/lib -L/opt/scientific/sundials-5.6.1/lib -L. -L/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../.. CMakeFiles/cmTC_6e8aa.dir/CMakeCXXCompilerABI.cpp.o -lstdc++ -lm -lgcc_s -lgcc -lc -lgcc_s -lgcc /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/crtendS.o /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/crtn.o -COLLECT_GCC_OPTIONS='-v' '-rdynamic' '-o' 'cmTC_6e8aa' '-shared-libgcc' '-mtune=generic' '-march=x86-64' -make[1]: Leaving directory '/backup/weiye/src_binary_droplet/build/CMakeFiles/CMakeTmp' +COLLECT_GCC_OPTIONS='-v' '-rdynamic' '-o' 'cmTC_cdefd' '-shared-libgcc' '-mtune=generic' '-march=x86-64' + /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/collect2 -plugin /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/liblto_plugin.so -plugin-opt=/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/lto-wrapper -plugin-opt=-fresolution=/tmp/ccF8rq80.res -plugin-opt=-pass-through=-lgcc_s -plugin-opt=-pass-through=-lgcc -plugin-opt=-pass-through=-lc -plugin-opt=-pass-through=-lgcc_s -plugin-opt=-pass-through=-lgcc --build-id --eh-frame-hdr --hash-style=gnu -m elf_x86_64 -export-dynamic -dynamic-linker /lib64/ld-linux-x86-64.so.2 -pie -o cmTC_cdefd /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/Scrt1.o /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib/crti.o /usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/crtbeginS.o -L/opt/scientific/sundials-5.6.1/lib/../lib -L/opt/scientific/sundials-5.6.1/lib/../lib -L/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1 -L/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../../../lib -L/lib/../lib -L/usr/lib/../lib -L/opt/scientific/sundials-5.6.1/lib -L/opt/scientific/sundials-5.6.1/lib -L. -L/usr/lib/gcc/x86_64-pc-linux-gnu/9.2.1/../../.. 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-/backup/weiye/src_binary_droplet/src/parse.cpp +/backup/weiye/src_binary_droplet_COPY/src/UserData.h parse.h -/backup/weiye/src_binary_droplet/src/parse.h - -/backup/weiye/src_binary_droplet/src/residue.cpp -gsl/gsl_math.h -- -gsl/gsl_spline.h -- -residue.h -/backup/weiye/src_binary_droplet/src/residue.h -macros.h -/backup/weiye/src_binary_droplet/src/macros.h -cmath -- -stdio.h -- -timing.hpp -/backup/weiye/src_binary_droplet/src/timing.hpp - -/backup/weiye/src_binary_droplet/src/solution.cpp -solution.h -/backup/weiye/src_binary_droplet/src/solution.h +/backup/weiye/src_binary_droplet_COPY/src/parse.h /opt/scientific/cantera-2.4_gnu_blas/include/cantera/IdealGasMix.h thermo/IdealGasPhase.h @@ -684,85 +1772,3 @@ cantera/numerics/DenseMatrix.h TransportBase.h /opt/scientific/cantera-2.4_gnu_blas/include/cantera/transport/TransportBase.h -/opt/scientific/sundials-3.1.1_intel_mkl/include/ida/ida.h -stdio.h -- -sundials/sundials_nvector.h -- - -/opt/scientific/sundials-3.1.1_intel_mkl/include/ida/ida_direct.h -sundials/sundials_direct.h -- -sundials/sundials_matrix.h -- -sundials/sundials_linearsolver.h -- -sundials/sundials_nvector.h -- - -/opt/scientific/sundials-3.1.1_intel_mkl/include/nvector/nvector_openmp.h -stdio.h -- -sundials/sundials_nvector.h -- - -/opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_config.h - -/opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_direct.h -stdio.h -- -sundials/sundials_types.h -- - -/opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_iterative.h -sundials/sundials_nvector.h -- - -/opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_lapack.h - -/opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_linearsolver.h -sundials/sundials_types.h -- -sundials/sundials_iterative.h -- -sundials/sundials_matrix.h -- -sundials/sundials_nvector.h -- - -/opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_matrix.h -sundials/sundials_types.h -- -sundials/sundials_nvector.h -- - -/opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_nvector.h -sundials/sundials_types.h -- - -/opt/scientific/sundials-3.1.1_intel_mkl/include/sundials/sundials_types.h -sundials/sundials_config.h -- -float.h -- -stdint.h -- - -/opt/scientific/sundials-3.1.1_intel_mkl/include/sunlinsol/sunlinsol_lapackband.h -sundials/sundials_linearsolver.h -- -sundials/sundials_lapack.h -- -sundials/sundials_matrix.h -- -sundials/sundials_nvector.h -- -sunmatrix/sunmatrix_band.h -- - -/opt/scientific/sundials-3.1.1_intel_mkl/include/sunmatrix/sunmatrix_band.h -stdio.h -- -sundials/sundials_matrix.h -- - diff --git a/build/CMakeFiles/DropletCombustion.dir/DependInfo.cmake b/build/CMakeFiles/DropletCombustion.dir/DependInfo.cmake index 968c58c..c35aa7d 100644 --- a/build/CMakeFiles/DropletCombustion.dir/DependInfo.cmake +++ b/build/CMakeFiles/DropletCombustion.dir/DependInfo.cmake @@ -4,12 +4,12 @@ set(CMAKE_DEPENDS_LANGUAGES ) # The set of files for implicit dependencies of each language: set(CMAKE_DEPENDS_CHECK_CXX - "/backup/weiye/src_binary_droplet/src/UserData.cpp" "/backup/weiye/src_binary_droplet/build/CMakeFiles/DropletCombustion.dir/src/UserData.cpp.o" - "/backup/weiye/src_binary_droplet/src/gridRoutines.cpp" "/backup/weiye/src_binary_droplet/build/CMakeFiles/DropletCombustion.dir/src/gridRoutines.cpp.o" - "/backup/weiye/src_binary_droplet/src/main.cpp" "/backup/weiye/src_binary_droplet/build/CMakeFiles/DropletCombustion.dir/src/main.cpp.o" - "/backup/weiye/src_binary_droplet/src/parse.cpp" "/backup/weiye/src_binary_droplet/build/CMakeFiles/DropletCombustion.dir/src/parse.cpp.o" - "/backup/weiye/src_binary_droplet/src/residue.cpp" "/backup/weiye/src_binary_droplet/build/CMakeFiles/DropletCombustion.dir/src/residue.cpp.o" - "/backup/weiye/src_binary_droplet/src/solution.cpp" "/backup/weiye/src_binary_droplet/build/CMakeFiles/DropletCombustion.dir/src/solution.cpp.o" + "/backup/weiye/src_binary_droplet_COPY/src/UserData.cpp" "/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/DropletCombustion.dir/src/UserData.cpp.o" + "/backup/weiye/src_binary_droplet_COPY/src/gridRoutines.cpp" "/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/DropletCombustion.dir/src/gridRoutines.cpp.o" + "/backup/weiye/src_binary_droplet_COPY/src/main.cpp" "/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/DropletCombustion.dir/src/main.cpp.o" + "/backup/weiye/src_binary_droplet_COPY/src/parse.cpp" "/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/DropletCombustion.dir/src/parse.cpp.o" + "/backup/weiye/src_binary_droplet_COPY/src/residue.cpp" "/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/DropletCombustion.dir/src/residue.cpp.o" + "/backup/weiye/src_binary_droplet_COPY/src/solution.cpp" "/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/DropletCombustion.dir/src/solution.cpp.o" ) set(CMAKE_CXX_COMPILER_ID "GNU") @@ -21,6 +21,7 @@ set(CMAKE_CXX_TARGET_INCLUDE_PATH "/usr/include/gsl" "/backup/weiye/CoolProp/include" "/backup/weiye/fmt/include" + "/backup/weiye/eigen-3.4.0" ) # Targets to which this target links. diff --git a/build/CMakeFiles/DropletCombustion.dir/build.make b/build/CMakeFiles/DropletCombustion.dir/build.make index 688d8ea..9680f0d 100644 --- a/build/CMakeFiles/DropletCombustion.dir/build.make +++ b/build/CMakeFiles/DropletCombustion.dir/build.make @@ -43,10 +43,10 @@ RM = /usr/bin/cmake -E remove -f EQUALS = = # The top-level source directory on which CMake was run. -CMAKE_SOURCE_DIR = /backup/weiye/src_binary_droplet +CMAKE_SOURCE_DIR = /backup/weiye/src_binary_droplet_COPY # The top-level build directory on which CMake was run. -CMAKE_BINARY_DIR = /backup/weiye/src_binary_droplet/build +CMAKE_BINARY_DIR = 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/backup/weiye/fmt/include/fmt/core.h /backup/weiye/fmt/include/fmt/format-inl.h /backup/weiye/fmt/include/fmt/format.h /backup/weiye/fmt/include/fmt/ostream.h /backup/weiye/fmt/include/fmt/printf.h - /backup/weiye/src_binary_droplet/src/UserData.cpp + /backup/weiye/src_binary_droplet_COPY/src/UserData.cpp /opt/scientific/cantera-2.4_gnu_blas/include/cantera/IdealGasMix.h /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.h /opt/scientific/cantera-2.4_gnu_blas/include/cantera/base/AnyMap.inl.h @@ -64,7 +305,7 @@ CMakeFiles/DropletCombustion.dir/src/gridRoutines.cpp.o ../include/gridRoutines.h ../include/parse.h ../include/parse.hpp - /backup/weiye/src_binary_droplet/src/gridRoutines.cpp + /backup/weiye/src_binary_droplet_COPY/src/gridRoutines.cpp CMakeFiles/DropletCombustion.dir/src/main.cpp.o ../include/UserData.h ../include/gridRoutines.h @@ -80,12 +321,253 @@ CMakeFiles/DropletCombustion.dir/src/main.cpp.o /backup/weiye/CoolProp/include/DataStructures.h 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/backup/weiye/fmt/include/fmt/core.h CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/fmt/include/fmt/format-inl.h CMakeFiles/DropletCombustion.dir/src/residue.cpp.o: /backup/weiye/fmt/include/fmt/format.h diff --git a/build/CMakeFiles/DropletCombustion.dir/flags.make b/build/CMakeFiles/DropletCombustion.dir/flags.make index f3a240d..dbdb530 100644 --- a/build/CMakeFiles/DropletCombustion.dir/flags.make +++ b/build/CMakeFiles/DropletCombustion.dir/flags.make @@ -6,5 +6,5 @@ CXX_FLAGS = -std=gnu++11 CXX_DEFINES = -CXX_INCLUDES = -I/backup/weiye/src_binary_droplet/include -I/opt/scientific/cantera-2.4_gnu_blas/include -I/opt/scientific/sundials-3.1.1_intel_mkl/include -I/usr/include/gsl -I/backup/weiye/CoolProp/include -I/backup/weiye/fmt/include +CXX_INCLUDES = -I/backup/weiye/src_binary_droplet_COPY/include -I/opt/scientific/cantera-2.4_gnu_blas/include -I/opt/scientific/sundials-3.1.1_intel_mkl/include -I/usr/include/gsl -I/backup/weiye/CoolProp/include 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b/build/CMakeFiles/Makefile2 index 25d7292..839014c 100644 --- a/build/CMakeFiles/Makefile2 +++ b/build/CMakeFiles/Makefile2 @@ -44,10 +44,10 @@ RM = /usr/bin/cmake -E remove -f EQUALS = = # The top-level source directory on which CMake was run. -CMAKE_SOURCE_DIR = /backup/weiye/src_binary_droplet +CMAKE_SOURCE_DIR = /backup/weiye/src_binary_droplet_COPY # The top-level build directory on which CMake was run. -CMAKE_BINARY_DIR = /backup/weiye/src_binary_droplet/build +CMAKE_BINARY_DIR = /backup/weiye/src_binary_droplet_COPY/build #============================================================================= # Directory level rules for the build root directory @@ -74,14 +74,14 @@ clean: CMakeFiles/DropletCombustion.dir/clean CMakeFiles/DropletCombustion.dir/all: $(MAKE) -f CMakeFiles/DropletCombustion.dir/build.make CMakeFiles/DropletCombustion.dir/depend $(MAKE) -f CMakeFiles/DropletCombustion.dir/build.make CMakeFiles/DropletCombustion.dir/build - @$(CMAKE_COMMAND) -E cmake_echo_color --switch=$(COLOR) --progress-dir=/backup/weiye/src_binary_droplet/build/CMakeFiles --progress-num=1,2,3,4,5,6,7 "Built target DropletCombustion" + @$(CMAKE_COMMAND) -E cmake_echo_color --switch=$(COLOR) --progress-dir=/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles --progress-num=1,2,3,4,5,6,7 "Built target DropletCombustion" .PHONY : CMakeFiles/DropletCombustion.dir/all # Build rule for subdir invocation for target. CMakeFiles/DropletCombustion.dir/rule: cmake_check_build_system - $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet/build/CMakeFiles 7 + $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles 7 $(MAKE) -f CMakeFiles/Makefile2 CMakeFiles/DropletCombustion.dir/all - $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet/build/CMakeFiles 0 + $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles 0 .PHONY : CMakeFiles/DropletCombustion.dir/rule # Convenience name for target. diff --git a/build/CMakeFiles/TargetDirectories.txt b/build/CMakeFiles/TargetDirectories.txt index cf89609..f6a656b 100644 --- a/build/CMakeFiles/TargetDirectories.txt +++ b/build/CMakeFiles/TargetDirectories.txt @@ -1,3 +1,3 @@ -/backup/weiye/src_binary_droplet/build/CMakeFiles/rebuild_cache.dir -/backup/weiye/src_binary_droplet/build/CMakeFiles/DropletCombustion.dir -/backup/weiye/src_binary_droplet/build/CMakeFiles/edit_cache.dir +/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/rebuild_cache.dir +/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/DropletCombustion.dir +/backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/edit_cache.dir diff --git a/build/Makefile b/build/Makefile index c0421cf..35e3154 100644 --- a/build/Makefile +++ b/build/Makefile @@ -48,10 +48,10 @@ RM = /usr/bin/cmake -E remove -f EQUALS = = # The top-level source directory on which CMake was run. -CMAKE_SOURCE_DIR = /backup/weiye/src_binary_droplet +CMAKE_SOURCE_DIR = /backup/weiye/src_binary_droplet_COPY # The top-level build directory on which CMake was run. -CMAKE_BINARY_DIR = /backup/weiye/src_binary_droplet/build +CMAKE_BINARY_DIR = /backup/weiye/src_binary_droplet_COPY/build #============================================================================= # Targets provided globally by CMake. @@ -80,9 +80,9 @@ edit_cache/fast: edit_cache # The main all target all: cmake_check_build_system - $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet/build/CMakeFiles /backup/weiye/src_binary_droplet/build/CMakeFiles/progress.marks + $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles/progress.marks $(MAKE) -f CMakeFiles/Makefile2 all - $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet/build/CMakeFiles 0 + $(CMAKE_COMMAND) -E cmake_progress_start /backup/weiye/src_binary_droplet_COPY/build/CMakeFiles 0 .PHONY : all # The main clean target diff --git a/build/cmake_install.cmake b/build/cmake_install.cmake index f11662d..8e42d9f 100644 --- a/build/cmake_install.cmake +++ b/build/cmake_install.cmake @@ -1,4 +1,4 @@ -# Install script for directory: /backup/weiye/src_binary_droplet +# Install script for directory: /backup/weiye/src_binary_droplet_COPY # Set the install prefix if(NOT DEFINED CMAKE_INSTALL_PREFIX) @@ -45,5 +45,5 @@ endif() string(REPLACE ";" "\n" CMAKE_INSTALL_MANIFEST_CONTENT "${CMAKE_INSTALL_MANIFEST_FILES}") -file(WRITE "/backup/weiye/src_binary_droplet/build/${CMAKE_INSTALL_MANIFEST}" +file(WRITE "/backup/weiye/src_binary_droplet_COPY/build/${CMAKE_INSTALL_MANIFEST}" "${CMAKE_INSTALL_MANIFEST_CONTENT}") diff --git a/include/UserData.h b/include/UserData.h index ff713c4..a5b8acb 100644 --- a/include/UserData.h +++ b/include/UserData.h @@ -6,6 +6,8 @@ #include "gridRoutines.h" #include +#include +#include #ifndef USER_DEF #define USER_DEF @@ -16,16 +18,31 @@ typedef struct UserDataTag{ /*A Transport object from Cantera. Contains all transport info of all * species.*/ Cantera::Transport* trmix; - /* Droplet species composition */ - //char dropSpec[MAXBUFLEN]; - char dropSpec[2][10]; + /* Droplet species mole fractions */ - double dropMole[2]; + //double dropMole[2]; + /* Droplet species density at given initialTemperature*/ - double dropDens[2]; - /* Droplet species mass fractions*/ - double dropMassFrac[2]; - double dropRho; + //double dropDens[2]; + + + //double dropRho; + + /* Classfication of droplet type : */ + /* dropType = 0 : single component droplet */ + /* dropType = 1 : binary components droplet */ + /* Current version only support single and binary component(s) droplet */ + int dropType; + /* Droplet species gamma using UNIFAC method */ + double gamma[2]; + /* Droplet species composition */ + std::vector dropSpec; + std::vector dropMole; + //char dropSpec[2][10] = {"propane","n-heptane"}; + + /* Droplet species mole fractions */ + //double dropMoleFrac[2]; + /*Length of the domain (in meters):*/ double domainLength; /*Initial Droplet Radius (in meters)*/ @@ -219,3 +236,5 @@ void setSaneDefaults(UserData data); void freeUserData(UserData data); #endif +void getGamma(const double mole[],double gamma[]) ; + diff --git a/include/parse.h b/include/parse.h index 894bd12..92aebf0 100644 --- a/include/parse.h +++ b/include/parse.h @@ -1,15 +1,18 @@ #ifndef PRINT_DEF #define PRINT_DEF #include //for strings -#include //for printf,scanf +#include //for printf,scanf (library for C) #include //for atoi, atof -#include +#include //C++ header for string #include #include #include #endif -#ifndef PARSE_DEF +#include +#include + +#ifndef PARSE_DEF ``` #define PARSE_DEF #define MAXBUFLEN 200 @@ -27,6 +30,13 @@ template int parseArray(FILE* input, const char* keyword, const size_t bufLen, const size_t arrLen, T y[]); + +template +int parseDropSpec(FILE* input, const char* keyword, const size_t bufLen,int* dropType, std::vector& dropPara); + +template<> +int parseDropSpec(FILE* input, const char* keyword, const size_t bufLen,int* dropType, std::vector& dropPara); + int parseDrop(FILE* input, const char* keyword,char dropSpec[][10],double dropMole[],const size_t bufLen); #include "parse.hpp" diff --git a/include/parse.hpp b/include/parse.hpp index 6c10a9a..247ab60 100644 --- a/include/parse.hpp +++ b/include/parse.hpp @@ -73,3 +73,53 @@ int parseArray(FILE* input, const char* keyword, const size_t bufLen, rewind(input); return(-1); } + + +/* Extract the droplet species and molefractions from input file using template */ +/* Generic template function */ +template +int parseDropSpec(FILE* input, const char* keyword, const size_t bufLen,const int* dropType, std::vector& dropPara){ + char buf[bufLen]; + char buf1[bufLen]; + char comment[1]; + char *ret; + T* n; + + while (fgets(buf,bufLen, input)!=NULL){ + comment[0]=buf[0]; + if(strncmp(comment,"#",1)==0){ + //printf("Comment!:%s\n",buf); + } + else{ + ret=strtok(buf,"="); + if(strcmp(ret,keyword)==0){ + /*offset buf by keyword size + 1 for the "="*/ + /* Second argument in the strncpy function is the address !!! */ + /* Note: current version of code can only take dropType =0 or 1 */ + strncpy(buf1, buf+strlen(keyword)+1, bufLen); + printf("%10s: ",keyword); + if(*dropType ==0){ + getFromString(buf1,n); + dropPara.push_back(*n); + }else{ + std::istringstream iss(buf1) ; + std::string token; + while(std::getline(iss,token,',')){ + T arg = std::stod(token); + dropPara.push_back(arg); + } + printf("%15.6e,%15.6e\n",dropPara[0],dropPara[1]); + } + rewind(input); + return(0); + } + } + } + rewind(input); + return(-1); +} + +/* Specialization for string */ +template<> +int parseDropSpec(FILE* input, const char* keyword, const size_t bufLen,const int* dropType, std::vector& dropPara); + diff --git a/src/UserData.cpp b/src/UserData.cpp index 8473e99..995d1f1 100644 --- a/src/UserData.cpp +++ b/src/UserData.cpp @@ -120,18 +120,44 @@ UserData allocateUserData(FILE *input){ return(NULL); } - ier=parseNumber(input, "quasiSteady" , MAXBUFLEN, &data->quasiSteady); - if(ier==-1 || (data->quasiSteady!=0 - && data->quasiSteady!=1)){ - printf("include valid quasiSteady!\n"); - printf("0: The droplet surface recedes and the droplet losses mass\n"); - printf("1: The droplet surface does not move and the droplet mass is constant\n"); + ier=parseNumber(input,"dropType",MAXBUFLEN,&data->dropType); + if(ier==-1 || (data->dropType!=0 + && data->dropType!=1)){ + printf("include valid dropletType!\n"); + printf("0: single component droplet\n"); + printf("1: multi-component droplet\n"); return(NULL); } - ier=parseNumber(input, "dPdt" , MAXBUFLEN, &data->dPdt); + ier=parseDropSpec(input,"dropletMole",MAXBUFLEN,&data->dropType,dropMole); + if(ier== -1){ + printf("include correct format for droplet mole fraction!\n"); + printf("single composition droplet: dropletMole:1.00\n"); + printf("binary composition droplet: dropletMole:0.3,0.7\n"); + return(NULL); + } + + ier=parseDropSpec(input,"dropletComposition",MAXBUFLEN,&data->dropType,dropSpec); + if(ier== -1){ + printf("include correct format for droplet composition!\n"); + printf("single composition droplet: dropletComposition:n-heptane\n"); + printf("binary composition droplet: dropletComposition:propane,n-heptane\n"); + return(NULL); + } + + + //ier=parseNumber(input, "quasiSteady" , MAXBUFLEN, &data->quasiSteady); + //if(ier==-1 || (data->quasiSteady!=0 + // && data->quasiSteady!=1)){ + // printf("include valid quasiSteady!\n"); + // printf("0: The droplet surface recedes and the droplet losses mass\n"); + // printf("1: The droplet surface does not move and the droplet mass is constant\n"); + // return(NULL); + //} + + ier=parseNumber(input, "dPdt", MAXBUFLEN, &data->dPdt); - ier=parseNumber(input, "Rg" , MAXBUFLEN, &data->Rg); + ier=parseNumber(input, "Rg", MAXBUFLEN, &data->Rg); if(data->Rg < 0.0){ printf("Rg must be greater than 0"); return(NULL); @@ -352,8 +378,8 @@ UserData allocateUserData(FILE *input){ // return(NULL); //} - ier=parseDrop(input,"dropletComposition",data->dropSpec,data->dropMole,MAXBUFLEN); - ier=parseDrop(input,"dropletDensity",data->dropSpec,data->dropDens,MAXBUFLEN); + //ier=parseDrop(input,"dropletComposition",data->dropSpec,data->dropMole,MAXBUFLEN); + //ier=parseDrop(input,"dropletDensity",data->dropSpec,data->dropDens,MAXBUFLEN); ier=parseNumber (input, "nThreads", MAXBUFLEN, &data->nThreads); @@ -364,9 +390,25 @@ UserData allocateUserData(FILE *input){ ier=parseNumber(input, "PCAD", MAXBUFLEN, &data->PCAD); + if(ier==-1){ + printf("Enter PCAD value!\n"); + return(NULL); + } ier=parseNumber(input,"RGTC", MAXBUFLEN, &data->RGTC); + if(ier==-1){ + printf("Enter PGTC value!\n"); + return(NULL); + } ier=parseNumber(input,"JJRG", MAXBUFLEN, &data->JJRG); + if(ier==-1){ + printf("Enter JJRG value!\n"); + return(NULL); + } ier=parseNumber(input,"deltaT", MAXBUFLEN, &data->deltaT); + if(ier==-1){ + printf("Enter deltaT value!\n"); + return(NULL); + } data->nr=0; //data->np=data->nr+1; @@ -385,21 +427,26 @@ UserData allocateUserData(FILE *input){ MW[i]= weight; } - double massSum = 0.0; - for(int i=0;i<=1;i++){ - massSum = massSum + data->dropMole[i] * MW[i]; - } - data->dropRho = 0.0; - for(int i=0;i<=1;i++){ - data->dropMassFrac[i] = data->dropMole[i]*MW[i]/massSum; - data->dropRho = data->dropRho + data->dropMassFrac[i]*data->dropDens[i]; - } + // double massSum = 0.0; + // for(int i=0;i<=1;i++){ + // massSum = massSum + data->dropMole[i] * MW[i]; + // } + // data->dropRho = 0.0; + // for(int i=0;i<=1;i++){ + // data->dropMassFrac[i] = data->dropMole[i]*MW[i]/massSum; + // data->dropRho = data->dropRho + data->dropMassFrac[i]*data->dropDens[i]; + // } + printf("Density of droplet is: %.3f [kg/m^3]\n",data->dropRho); //Mass of droplet //data->massDrop=1.0/3.0*pow(data->Rd,3)*997.0; //TODO: The density of the droplet should be a user input //data->massDrop=1.0/3.0*pow(data->Rd,3)*684.00; //TODO: The density of the droplet(n-heptane) should be a user input data->massDrop=1.0/3.0*pow(data->Rd,3)*data->dropRho; + /* Update the gamma using UNIFAC method for propane and n-heptane */ + getGamma(data->dropMole,data->gamma) ; + printf("Gamma of Propane and n-heptane are %.3f and %.3f .\n",data->gamma[0],data->gamma[1]) ; + if(!data->adaptiveGrid){ data->uniformGrid = new double [data->npts]; data->neq=data->nvar*data->npts; @@ -415,12 +462,6 @@ UserData allocateUserData(FILE *input){ ier=reGrid(data->grid, data->grid->position); if(ier==-1)return(NULL); - -// /**************** TEST THE data->grid->xOld *******************/ -// double* ptr = data->grid->xOld ; -// printf("allocateUserData function is called,Start print the first 5 elements of the xOld array : \n"); -// printf("1st:%.6f, 2nd:%.6f, 3rd:%.6f, 4th:%.6f, 5th:%.6f.\n",ptr[0],ptr[1],ptr[2],ptr[3],ptr[4]); - data->npts=data->grid->nPts; data->neq=data->nvar*data->npts; } @@ -497,3 +538,38 @@ void setSaneDefaults(UserData data){ data->deltaT=200.0; } + +void getGamma(const double mole[],double gamma[]){ + /* define relevant matrix */ + Eigen::Matrix2d nu_ ; + nu_ << 2,1,2,5; + /* define relevant vectors */ + Eigen::Vector2d R_(0.9011,0.6744),Q_(0.8480,0.5400); + Eigen::Vector2d r_,q_,x_,l_,ones_(1.0,1.0),v_,ksi_,gammaC_; + double sum_q, sum_r,sum_l; + + r_ = nu_ * R_ ; + q_ = nu_ * Q_ ; + x_ << mole[0], mole[1] ; + + sum_q = x_.dot(q_) ; + sum_r = x_.dot(r_) ; + + for(int i=0; inSaves==0 && !data->writeEveryRegrid){ printSpaceTimeOutput(tNow, &y, data->output, data); diff --git a/src/parse.cpp b/src/parse.cpp index d2e6e9f..a4060ce 100644 --- a/src/parse.cpp +++ b/src/parse.cpp @@ -19,7 +19,14 @@ void getFromString (const char* buf, char* n){ printf("%s\n",n); } -/*Extract droplet species and mole fractions*/ +std::string getFromString(const char* buf){ + std::string n(buf); + printf("%s\n",n.c_str()); + return n; + } + + +/* Extract droplet species and mole fractions */ int parseDrop(FILE* input, const char* keyword,char dropSpec[][10],double dropMole[],const size_t bufLen){ char buf[bufLen]; char buf1[bufLen]; @@ -77,3 +84,47 @@ int parseDrop(FILE* input, const char* keyword,char dropSpec[][10],double dropMo rewind(input); return(-1); } + +/* Specialization for string */ +template<> +int parseDropSpec(FILE* input, const char* keyword, const size_t bufLen,const int* dropType, std::vector& dropPara){ + char buf[bufLen]; + char buf1[bufLen]; + char comment[1]; + char *ret; + + while (fgets(buf,bufLen, input)!=NULL){ + comment[0]=buf[0]; + if(strncmp(comment,"#",1)==0){ + //printf("Comment!:%s\n",buf); + } + else{ + ret=strtok(buf,"="); + if(strcmp(ret,keyword)==0){ + /*offset buf by keyword size + 1 for the "="*/ + /* Second argument in the strncpy function is the address !!! */ + /* Note: current version of code can only take dropType =0 or 1 */ + strncpy(buf1, buf+strlen(keyword)+1, bufLen); + printf("%10s: ",keyword); + if(*dropType ==0){ + /* Convert from char* to string */ + std::string str(buf1); + dropPara.push_back(str); + printf("%s\n",dropPara[0].c_str()); + }else{ + std::istringstream iss(buf1) ; + std::string token; + while(std::getline(iss,token,',')){ + //std::stod(token); + dropPara.push_back(token); + } + printf("%s,%s\n",dropPara[0].c_str(),dropPara[1].c_str()); + } + rewind(input); + return(0); + } + } + } + rewind(input); + return(-1); +} \ No newline at end of file diff --git a/src/residue.cpp b/src/residue.cpp index 03a9c55..4c92286 100644 --- a/src/residue.cpp +++ b/src/residue.cpp @@ -1194,8 +1194,9 @@ int residue(double t, N_Vector y, N_Vector ydot, N_Vector res, void *user_data){ /*Antoine parameter from NIST website*/ /*Raoult's Law is applied to calculate the partial vapor pressure*/ double p_i[2]={0.0,0.0} ; - p_i[0] = 1.0e5*pow(10,4.53678-(1149.36/(T(1)+24.906)))*data->dropMole[0] ; //unit:Pa,Helgeson and Sage,1967,Propane - p_i[1] = 1.0e5*pow(10,4.02832-(1268.636/(T(1)-56.199)))*data->dropMole[0] ; //unit:Pa,n-Heptane + p_i[0] = 1.0e5*pow(10,4.53678-(1149.36/(T(1)+24.906)))*data->dropMole[0]*data->gamma[0] ; //unit:Pa,Helgeson and Sage,1967,Propane + //p_i[0] = 1.0e5*pow(10,4.02832-(1268.636/(T(1)-56.199)))*data->dropMole[0] ; + p_i[1] = 1.0e5*pow(10,4.02832-(1268.636/(T(1)-56.199)))*data->dropMole[1]*data->gamma[1] ; //unit:Pa,n-Heptane //p_i[1] = 1.0e5*pow(10,4.10549-(1625.928/(T(1)-92.839)))*data->dropMole[1] ; //Unit:Pa.Williamham and Taylor,n-dodecane