mirror of
https://github.com/pfloos/quack
synced 2024-08-27 22:51:50 +02:00
xcDFT -> eDFT
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parent
599182f5e5
commit
3ee4b0855a
@ -182,7 +182,7 @@ program QuAcK
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call cpu_time(end_HF)
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call cpu_time(end_HF)
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t_HF = end_HF - start_HF
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t_HF = end_HF - start_HF
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write(*,'(A65,1X,F9.3,A8)') 'Total CPU time for HF = ',t_HF,' seconds'
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write(*,'(A65,1X,F9.3,A8)') 'Total CPU time for UHF = ',t_HF,' seconds'
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write(*,*)
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write(*,*)
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endif
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endif
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@ -198,7 +198,7 @@ program QuAcK
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call cpu_time(end_HF)
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call cpu_time(end_HF)
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t_HF = end_HF - start_HF
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t_HF = end_HF - start_HF
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write(*,'(A65,1X,F9.3,A8)') 'Total CPU time for HF = ',t_HF,' seconds'
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write(*,'(A65,1X,F9.3,A8)') 'Total CPU time for UHF = ',t_HF,' seconds'
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write(*,*)
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write(*,*)
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endif
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endif
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@ -24,12 +24,12 @@ $(ODIR)/%.o: %.f90
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$(ODIR)/%.o: %.f
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$(ODIR)/%.o: %.f
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$(FC) -c -o $@ $< $(FFLAGS)
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$(FC) -c -o $@ $< $(FFLAGS)
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$(BDIR)/xcDFT: $(OBJ)
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$(BDIR)/eDFT: $(OBJ)
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$(FC) -o $@ $^ $(FFLAGS) $(LIBS)
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$(FC) -o $@ $^ $(FFLAGS) $(LIBS)
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debug:
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debug:
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DEBUG=1 make $(BDIR)/xcDFT
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DEBUG=1 make $(BDIR)/eDFT
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#DEBUG=1 make clean $(BDIR)/xcDFT
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#DEBUG=1 make clean $(BDIR)/eDFT
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clean:
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clean:
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rm -f $(ODIR)/*.o $(BDIR)/xcDFT $(BDIR)/debug
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rm -f $(ODIR)/*.o $(BDIR)/eDFT $(BDIR)/debug
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3017
src/xcDFT/dft_grid.f
3017
src/xcDFT/dft_grid.f
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