From e8922e1684543cae5d1cd28c735fcf7f66f280f3 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 13 Mar 2019 10:10:01 +0100 Subject: [PATCH] rrrr --- src/IntPak/Makefile | 8 ++++---- src/MCQC/Makefile | 8 ++++---- src/MCQC/obj/ADC.o | Bin 5328 -> 1840 bytes src/MCQC/obj/ADC2.o | Bin 20152 -> 13168 bytes src/MCQC/obj/AO_values.o | Bin 8852 -> 4168 bytes src/MCQC/obj/AOtoMO_integral_transform.o | Bin 7276 -> 3052 bytes src/MCQC/obj/AOtoMO_oooa.o | Bin 10568 -> 5312 bytes src/MCQC/obj/AOtoMO_oooo.o | Bin 10352 -> 5136 bytes src/MCQC/obj/AOtoMO_oovv.o | Bin 9400 -> 4244 bytes src/MCQC/obj/AOtoMO_transform.o | Bin 5872 -> 2244 bytes src/MCQC/obj/Bethe_Salpeter_A_matrix.o | Bin 5388 -> 1644 bytes src/MCQC/obj/Bethe_Salpeter_B_matrix.o | Bin 5364 -> 1628 bytes src/MCQC/obj/CIS.o | Bin 6624 -> 2704 bytes src/MCQC/obj/Coulomb_matrix_AO_basis.o | Bin 4036 -> 992 bytes src/MCQC/obj/Coulomb_matrix_MO_basis.o | Bin 6504 -> 2356 bytes src/MCQC/obj/DIIS_extrapolation.o | Bin 7788 -> 2804 bytes src/MCQC/obj/G0W0.o | Bin 14396 -> 6468 bytes src/MCQC/obj/GF2.o | Bin 14600 -> 7192 bytes src/MCQC/obj/GF2_diag.o | Bin 12280 -> 6724 bytes src/MCQC/obj/GF3_diag.o | Bin 38316 -> 25864 bytes src/MCQC/obj/Green_function.o | Bin 11592 -> 5280 bytes src/MCQC/obj/Hartree_matrix_AO_basis.o | Bin 4116 -> 992 bytes src/MCQC/obj/Hartree_matrix_MO_basis.o | Bin 6624 -> 2356 bytes src/MCQC/obj/MCMP2.o | Bin 46364 -> 22328 bytes src/MCQC/obj/MCQC.o | Bin 35708 -> 15852 bytes src/MCQC/obj/MOM.o | Bin 35988 -> 22448 bytes src/MCQC/obj/MOM_overlap.o | Bin 8124 -> 3456 bytes src/MCQC/obj/MOtoAO_transform.o | Bin 7620 -> 3516 bytes src/MCQC/obj/MP2.o | Bin 7868 -> 4344 bytes src/MCQC/obj/MP2F12.o | Bin 15480 -> 7528 bytes src/MCQC/obj/MP3.o | Bin 10848 -> 6700 bytes src/MCQC/obj/MinMCMP2.o | Bin 12160 -> 6732 bytes src/MCQC/obj/NDrift.o | Bin 10460 -> 4184 bytes src/MCQC/obj/Newton.o | Bin 7900 -> 3456 bytes src/MCQC/obj/NormCoeff.o | Bin 3916 -> 1440 bytes src/MCQC/obj/RHF.o | Bin 40384 -> 24504 bytes src/MCQC/obj/SPHF.o | Bin 40780 -> 24368 bytes src/MCQC/obj/SPMP2.o | Bin 7880 -> 4344 bytes src/MCQC/obj/SPTDHF.o | Bin 7860 -> 3548 bytes src/MCQC/obj/SP_linear_response.o | Bin 14308 -> 7484 bytes src/MCQC/obj/SP_linear_response_A_matrix.o | Bin 5612 -> 1784 bytes src/MCQC/obj/SP_linear_response_B_matrix.o | Bin 5480 -> 1520 bytes src/MCQC/obj/TDHF.o | Bin 7848 -> 3544 bytes src/MCQC/obj/antisymmetrize_ERI.o | Bin 4520 -> 1208 bytes src/MCQC/obj/dcgw.o | Bin 2976 -> 640 bytes src/MCQC/obj/density.o | Bin 5072 -> 1640 bytes src/MCQC/obj/density_matrix.o | Bin 3048 -> 788 bytes src/MCQC/obj/drift.o | Bin 3976 -> 1028 bytes src/MCQC/obj/evGW.o | Bin 19656 -> 9708 bytes src/MCQC/obj/exchange_matrix_AO_basis.o | Bin 4368 -> 1296 bytes src/MCQC/obj/exchange_matrix_MO_basis.o | Bin 6516 -> 2360 bytes src/MCQC/obj/excitation_density.o | Bin 8048 -> 3596 bytes src/MCQC/obj/excitation_density_SOSEX.o | Bin 8088 -> 3604 bytes .../obj/excitation_density_SOSEX_from_MO.o | Bin 0 -> 1448 bytes src/MCQC/obj/generate_shell.o | Bin 2860 -> 676 bytes src/MCQC/obj/initialize_random_generator.o | Bin 3536 -> 1500 bytes src/MCQC/obj/linear_response.o | Bin 14284 -> 7476 bytes src/MCQC/obj/linear_response_A_matrix.o | Bin 5548 -> 1736 bytes src/MCQC/obj/linear_response_B_matrix.o | Bin 5408 -> 1480 bytes src/MCQC/obj/natural_orbital.o | Bin 7348 -> 3380 bytes src/MCQC/obj/norm_trial.o | Bin 7656 -> 2868 bytes src/MCQC/obj/optimize_timestep.o | Bin 2792 -> 1004 bytes src/MCQC/obj/orthogonalization_matrix.o | Bin 8528 -> 4184 bytes src/MCQC/obj/overlap.o | Bin 6320 -> 2880 bytes src/MCQC/obj/plot_GW.o | Bin 10120 -> 5532 bytes src/MCQC/obj/print_G0W0.o | Bin 7832 -> 5068 bytes src/MCQC/obj/print_GF2.o | Bin 7272 -> 4212 bytes src/MCQC/obj/print_GF3.o | Bin 7536 -> 4424 bytes src/MCQC/obj/print_RHF.o | Bin 8844 -> 5612 bytes src/MCQC/obj/print_evGW.o | Bin 8916 -> 6044 bytes src/MCQC/obj/print_excitation.o | Bin 6180 -> 3296 bytes src/MCQC/obj/print_qsGW.o | Bin 21260 -> 15224 bytes src/MCQC/obj/qsGW.o | Bin 41692 -> 21600 bytes src/MCQC/obj/qsGW_PT.o | Bin 12380 -> 7704 bytes src/MCQC/obj/read_F12_integrals.o | Bin 8068 -> 4556 bytes src/MCQC/obj/read_MOs.o | Bin 5856 -> 3020 bytes src/MCQC/obj/read_auxiliary_basis.o | Bin 13104 -> 9324 bytes src/MCQC/obj/read_basis.o | Bin 10180 -> 6616 bytes src/MCQC/obj/read_geometry.o | Bin 7120 -> 4316 bytes src/MCQC/obj/read_integrals.o | Bin 7176 -> 3704 bytes src/MCQC/obj/read_methods.o | Bin 5460 -> 2652 bytes src/MCQC/obj/read_molecule.o | Bin 6740 -> 4200 bytes src/MCQC/obj/read_options.o | Bin 8732 -> 3812 bytes src/MCQC/obj/renormalization_factor.o | Bin 8088 -> 3112 bytes src/MCQC/obj/rij.o | Bin 2868 -> 780 bytes src/MCQC/obj/self_energy_correlation.o | Bin 9252 -> 3908 bytes src/MCQC/obj/self_energy_correlation_diag.o | Bin 7908 -> 3816 bytes src/MCQC/obj/self_energy_exchange.o | Bin 6496 -> 2356 bytes src/MCQC/obj/transition_probability.o | Bin 4588 -> 1492 bytes src/MCQC/obj/utils.o | Bin 13420 -> 5164 bytes src/MCQC/obj/wrap_lapack.o | Bin 17616 -> 6060 bytes 91 files changed, 8 insertions(+), 8 deletions(-) create mode 100644 src/MCQC/obj/excitation_density_SOSEX_from_MO.o diff --git a/src/IntPak/Makefile b/src/IntPak/Makefile index 565b569..96db0e9 100644 --- a/src/IntPak/Makefile +++ b/src/IntPak/Makefile @@ -24,12 +24,12 @@ $(ODIR)/%.o: %.f90 $(ODIR)/%.o: %.f $(FC) -c -o $@ $< $(FFLAGS) -$(BDIR)/xcDFT: $(OBJ) +$(BDIR)/IntPak: $(OBJ) $(FC) -o $@ $^ $(FFLAGS) $(LIBS) debug: - DEBUG=1 make $(BDIR)/xcDFT -#DEBUG=1 make clean $(BDIR)/xcDFT + DEBUG=1 make $(BDIR)/IntPak +#DEBUG=1 make clean $(BDIR)/IntPak clean: - rm -f $(ODIR)/*.o $(BDIR)/xcDFT $(BDIR)/debug + rm -f $(ODIR)/*.o $(BDIR)/IntPak $(BDIR)/debug diff --git a/src/MCQC/Makefile b/src/MCQC/Makefile index 565b569..da44be9 100644 --- a/src/MCQC/Makefile +++ b/src/MCQC/Makefile @@ -24,12 +24,12 @@ $(ODIR)/%.o: %.f90 $(ODIR)/%.o: %.f $(FC) -c -o $@ $< $(FFLAGS) -$(BDIR)/xcDFT: $(OBJ) +$(BDIR)/MCQC: $(OBJ) $(FC) -o $@ $^ 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