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https://github.com/TREX-CoE/Sherman-Morrison.git
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48c27eb47e
that is smaller than the size of the Slater-matrix * Removed the Slater-matrix as an argument, since it is not used in the algo. * Added a manual 4x4 example to debug MaponiA3 to work with a number of updates that is smaller than the size of the Slater-matrix * Added a new Octave script to quickly check if the computes inverse is correct.
57 lines
1.7 KiB
Makefile
57 lines
1.7 KiB
Makefile
## Used compilers
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H5CXX = h5c++
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CXX = clang++
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FC = flang
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## Compiler flags
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CXXFLAGS = -O0
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FFLAGS = -O0
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## Deps & objs for C++ cMaponiA3_test
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cMaponiA3_testDEP = cMaponiA3_test.cpp SM_MaponiA3.cpp SM_MaponiA3.hpp Helpers.hpp
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cMaponiA3_testOBJ = cMaponiA3_test.o SM_MaponiA3.o
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## Deps & objs for Fortran fMaponiA3_test
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fMaponiA3_testDEP = fMaponiA3_test.f90 SM_MaponiA3_mod.f90
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fMaponiA3_testOBJ = SM_MaponiA3.o SM_MaponiA3_mod.o fMaponiA3_test.o
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fMaponiA3_testLIB = -lstdc++
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## Deps & objs for Fortran QMCChem_dataset_test
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QMCChem_dataset_testDEP = QMCChem_dataset_test.f90 SM_MaponiA3_mod.f90 Utils_mod.f90
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QMCChem_dataset_testOBJ = SM_MaponiA3.o Utils_mod.o SM_MaponiA3_mod.o QMCChem_dataset_test.o
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QMCChem_dataset_testLIB = -lstdc++
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## Compile recipes for C++ cMaponiA3_test
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%.o: %.cpp $(cMaponiA3_testDEP)
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$(CXX) $(ARCH) $(CXXFLAGS) -c -o $@ $<
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## Compile recepies for Fortran fMaponiA3_test
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%.o: %.f90 $(fMaponiA3_testDEP)
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$(FC) $(ARCH) $(FFLAGS) -c -o $@ $<
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## Build tagets
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.PHONY: all clean distclean
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all: cMaponiA3_test fMaponiA3_test QMCChem_dataset_test tests/test
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clean:
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@rm -vf *.o *.mod
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distclean: clean
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@rm -vf cMaponiA3_test fMaponiA3_test QMCChem_dataset_test Slater_* Updates.dat
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## Linking the C++ example program
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cMaponiA3_test: $(cMaponiA3_testOBJ)
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$(CXX) $(ARCH) $(CXXFLAGS) -o $@ $^
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## Linking Fortran example program calling the C++ function 'Sherman_Morrison()'
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fMaponiA3_test: $(fMaponiA3_testOBJ)
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$(FC) $(ARCH) $(FFLAGS) $(fMaponiA3_testLIB) -o $@ $^
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## Linking Fortran example program calling the C++ function 'Sherman_Morrison()'
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QMCChem_dataset_test: $(QMCChem_dataset_testOBJ)
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$(FC) $(ARCH) $(FFLAGS) $(QMCChem_dataset_testLIB) -o $@ $^
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tests/test: tests/test.cpp SM_MaponiA3.o
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$(H5CXX) $(ARCH) $(CXXFLAGS) -o $@ $^
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