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mirror of https://github.com/pfloos/quack synced 2024-11-05 21:53:56 +01:00

xcDFT -> eDFT

This commit is contained in:
Pierre-Francois Loos 2019-03-19 11:33:49 +01:00
parent 599182f5e5
commit 3ee4b0855a
69 changed files with 6 additions and 3023 deletions

View File

@ -182,7 +182,7 @@ program QuAcK
call cpu_time(end_HF) call cpu_time(end_HF)
t_HF = end_HF - start_HF t_HF = end_HF - start_HF
write(*,'(A65,1X,F9.3,A8)') 'Total CPU time for HF = ',t_HF,' seconds' write(*,'(A65,1X,F9.3,A8)') 'Total CPU time for UHF = ',t_HF,' seconds'
write(*,*) write(*,*)
endif endif
@ -198,7 +198,7 @@ program QuAcK
call cpu_time(end_HF) call cpu_time(end_HF)
t_HF = end_HF - start_HF t_HF = end_HF - start_HF
write(*,'(A65,1X,F9.3,A8)') 'Total CPU time for HF = ',t_HF,' seconds' write(*,'(A65,1X,F9.3,A8)') 'Total CPU time for UHF = ',t_HF,' seconds'
write(*,*) write(*,*)
endif endif

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@ -24,12 +24,12 @@ $(ODIR)/%.o: %.f90
$(ODIR)/%.o: %.f $(ODIR)/%.o: %.f
$(FC) -c -o $@ $< $(FFLAGS) $(FC) -c -o $@ $< $(FFLAGS)
$(BDIR)/xcDFT: $(OBJ) $(BDIR)/eDFT: $(OBJ)
$(FC) -o $@ $^ $(FFLAGS) $(LIBS) $(FC) -o $@ $^ $(FFLAGS) $(LIBS)
debug: debug:
DEBUG=1 make $(BDIR)/xcDFT DEBUG=1 make $(BDIR)/eDFT
#DEBUG=1 make clean $(BDIR)/xcDFT #DEBUG=1 make clean $(BDIR)/eDFT
clean: clean:
rm -f $(ODIR)/*.o $(BDIR)/xcDFT $(BDIR)/debug rm -f $(ODIR)/*.o $(BDIR)/eDFT $(BDIR)/debug

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