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Created new benchmark; mock tests now passing
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| {"input_files": ["pseudopotentials/H_ONCV_PBE-1.2.upf", "pseudopotentials/O_ONCV_PBE-1.2.upf"], "output_files": ["TMP-CP/kc.cel", "TMP-CP/kc.con", "TMP-CP/kc.eig", "TMP-CP/kc.evp", "TMP-CP/kc.for", "TMP-CP/kc.ham", "TMP-CP/kc.nos", "TMP-CP/kc.ovp", "TMP-CP/kc.pol", "TMP-CP/kc.pos", "TMP-CP/kc.sha", "TMP-CP/kc.spr", "TMP-CP/kc.str", "TMP-CP/kc.the", "TMP-CP/kc.vel", "TMP-CP/kc.wfc", "TMP-CP/kc_99.save/H_ONCV_PBE-1.2.upf", "TMP-CP/kc_99.save/K00001/eigenval1.xml", "TMP-CP/kc_99.save/K00001/eigenval2.xml", "TMP-CP/kc_99.save/K00001/evc01.dat", "TMP-CP/kc_99.save/K00001/evc02.dat", "TMP-CP/kc_99.save/K00001/evc0_empty1.dat", "TMP-CP/kc_99.save/K00001/evc0_empty2.dat", "TMP-CP/kc_99.save/K00001/evc1.dat", "TMP-CP/kc_99.save/K00001/evc2.dat", "TMP-CP/kc_99.save/K00001/evc_empty1.dat", "TMP-CP/kc_99.save/K00001/evc_empty2.dat", "TMP-CP/kc_99.save/K00001/evcm1.dat", "TMP-CP/kc_99.save/K00001/evcm2.dat", "TMP-CP/kc_99.save/K00001/gkvectors.dat", "TMP-CP/kc_99.save/K00001/hamiltonian1.xml", "TMP-CP/kc_99.save/K00001/hamiltonian2.xml", "TMP-CP/kc_99.save/K00001/hamiltonian_emp1.xml", "TMP-CP/kc_99.save/K00001/hamiltonian_emp2.xml", "TMP-CP/kc_99.save/K00001/lambda01.dat", "TMP-CP/kc_99.save/K00001/lambda02.dat", "TMP-CP/kc_99.save/K00001/lambdam1.dat", "TMP-CP/kc_99.save/K00001/lambdam2.dat", "TMP-CP/kc_99.save/O_ONCV_PBE-1.2.upf", "TMP-CP/kc_99.save/charge-density.dat", "TMP-CP/kc_99.save/data-file.xml", "TMP-CP/kc_99.save/gvectors.dat", "TMP-CP/kc_99.save/print_counter.xml", "TMP-CP/kc_99.save/spin-polarization.dat", "dft_nspin2_dummy.cpo", "dft_nspin2_dummy.ham.pkl"]} |
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| {"input_files": ["TMP-CP/kc.cel", "TMP-CP/kc.con", "TMP-CP/kc.eig", "TMP-CP/kc.evp", "TMP-CP/kc.for", "TMP-CP/kc.ham", "TMP-CP/kc.nos", "TMP-CP/kc.ovp", "TMP-CP/kc.pol", "TMP-CP/kc.pos", "TMP-CP/kc.sha", "TMP-CP/kc.spr", "TMP-CP/kc.str", "TMP-CP/kc.the", "TMP-CP/kc.vel", "TMP-CP/kc_99.save/H_ONCV_PBE-1.2.upf", "TMP-CP/kc_99.save/K00001/eigenval1.xml", "TMP-CP/kc_99.save/K00001/eigenval2.xml", "TMP-CP/kc_99.save/K00001/evc01.dat", "TMP-CP/kc_99.save/K00001/evc02.dat", "TMP-CP/kc_99.save/K00001/evc0_empty1.dat", "TMP-CP/kc_99.save/K00001/evc0_empty2.dat", "TMP-CP/kc_99.save/K00001/evc1.dat", "TMP-CP/kc_99.save/K00001/evc2.dat", "TMP-CP/kc_99.save/K00001/evc_empty1.dat", "TMP-CP/kc_99.save/K00001/evc_empty2.dat", "TMP-CP/kc_99.save/K00001/evcm1.dat", "TMP-CP/kc_99.save/K00001/evcm2.dat", "TMP-CP/kc_99.save/K00001/gkvectors.dat", "TMP-CP/kc_99.save/K00001/hamiltonian1.xml", "TMP-CP/kc_99.save/K00001/hamiltonian2.xml", "TMP-CP/kc_99.save/K00001/hamiltonian_emp1.xml", "TMP-CP/kc_99.save/K00001/hamiltonian_emp2.xml", "TMP-CP/kc_99.save/K00001/lambda01.dat", "TMP-CP/kc_99.save/K00001/lambda02.dat", "TMP-CP/kc_99.save/K00001/lambdam1.dat", "TMP-CP/kc_99.save/K00001/lambdam2.dat", "TMP-CP/kc_99.save/O_ONCV_PBE-1.2.upf", "TMP-CP/kc_99.save/charge-density.dat", "TMP-CP/kc_99.save/data-file.xml", "TMP-CP/kc_99.save/gvectors.dat", "TMP-CP/kc_99.save/print_counter.xml", "TMP-CP/kc_99.save/spin-polarization.dat", "pseudopotentials/H_ONCV_PBE-1.2.upf", "pseudopotentials/O_ONCV_PBE-1.2.upf"], "output_files": ["TMP-CP/kc.cel", "TMP-CP/kc.eig", "TMP-CP/kc.evp", "TMP-CP/kc.nos", "TMP-CP/kc.ovp", "TMP-CP/kc.pos", "TMP-CP/kc.sha", "TMP-CP/kc.vel", "TMP-CP/kc_51.save/H_ONCV_PBE-1.2.upf", "TMP-CP/kc_51.save/K00001/eigenval1.xml", "TMP-CP/kc_51.save/K00001/eigenval2.xml", "TMP-CP/kc_51.save/K00001/evc01.dat", "TMP-CP/kc_51.save/K00001/evc02.dat", "TMP-CP/kc_51.save/K00001/evc0_empty1.dat", "TMP-CP/kc_51.save/K00001/evc0_empty2.dat", "TMP-CP/kc_51.save/K00001/evc1.dat", "TMP-CP/kc_51.save/K00001/evc2.dat", "TMP-CP/kc_51.save/K00001/evc_empty1.dat", "TMP-CP/kc_51.save/K00001/evc_empty2.dat", "TMP-CP/kc_51.save/K00001/evcm1.dat", "TMP-CP/kc_51.save/K00001/evcm2.dat", "TMP-CP/kc_51.save/K00001/gkvectors.dat", "TMP-CP/kc_51.save/K00001/hamiltonian1.xml", "TMP-CP/kc_51.save/K00001/hamiltonian2.xml", "TMP-CP/kc_51.save/K00001/hamiltonian_emp1.xml", "TMP-CP/kc_51.save/K00001/hamiltonian_emp2.xml", "TMP-CP/kc_51.save/K00001/lambda01.dat", "TMP-CP/kc_51.save/K00001/lambda02.dat", "TMP-CP/kc_51.save/K00001/lambdam1.dat", "TMP-CP/kc_51.save/K00001/lambdam2.dat", "TMP-CP/kc_51.save/O_ONCV_PBE-1.2.upf", "TMP-CP/kc_51.save/charge-density.dat", "TMP-CP/kc_51.save/data-file.xml", "TMP-CP/kc_51.save/gvectors.dat", "TMP-CP/kc_51.save/print_counter.xml", "TMP-CP/kc_51.save/spin-polarization.dat", "dft_nspin2.cpo", "dft_nspin2.ham.pkl"]} |
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| {"input_files": ["pseudopotentials/H_ONCV_PBE-1.2.upf", "pseudopotentials/O_ONCV_PBE-1.2.upf"], "output_files": ["TMP-CP/kc.cel", "TMP-CP/kc.con", "TMP-CP/kc.eig", "TMP-CP/kc.evp", "TMP-CP/kc.for", "TMP-CP/kc.ham", "TMP-CP/kc.nos", "TMP-CP/kc.ovp", "TMP-CP/kc.pol", "TMP-CP/kc.pos", "TMP-CP/kc.sha", "TMP-CP/kc.spr", "TMP-CP/kc.str", "TMP-CP/kc.the", "TMP-CP/kc.vel", "TMP-CP/kc.wfc", "TMP-CP/kc_98.save/H_ONCV_PBE-1.2.upf", "TMP-CP/kc_98.save/K00001/eigenval.xml", "TMP-CP/kc_98.save/K00001/evc.dat", "TMP-CP/kc_98.save/K00001/evc0.dat", "TMP-CP/kc_98.save/K00001/evc0_empty1.dat", "TMP-CP/kc_98.save/K00001/evc_empty1.dat", "TMP-CP/kc_98.save/K00001/evcm.dat", "TMP-CP/kc_98.save/K00001/gkvectors.dat", "TMP-CP/kc_98.save/K00001/hamiltonian.xml", "TMP-CP/kc_98.save/K00001/hamiltonian_emp.xml", "TMP-CP/kc_98.save/K00001/lambda01.dat", "TMP-CP/kc_98.save/K00001/lambdam1.dat", "TMP-CP/kc_98.save/O_ONCV_PBE-1.2.upf", "TMP-CP/kc_98.save/charge-density.dat", "TMP-CP/kc_98.save/data-file.xml", "TMP-CP/kc_98.save/gvectors.dat", "TMP-CP/kc_98.save/print_counter.xml", "dft_nspin1.cpo", "dft_nspin1.ham.pkl"]} |
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| {"input_files": ["pseudopotentials/H_ONCV_PBE-1.2.upf", "pseudopotentials/O_ONCV_PBE-1.2.upf"], "output_files": ["TMP-CP/kc.cel", "TMP-CP/kc.con", "TMP-CP/kc.eig", "TMP-CP/kc.evp", "TMP-CP/kc.for", "TMP-CP/kc.ham", "TMP-CP/kc.nos", "TMP-CP/kc.ovp", "TMP-CP/kc.pol", "TMP-CP/kc.pos", "TMP-CP/kc.sha", "TMP-CP/kc.spr", "TMP-CP/kc.str", "TMP-CP/kc.the", "TMP-CP/kc.vel", "TMP-CP/kc.wfc", "TMP-CP/kc_99.save/H_ONCV_PBE-1.2.upf", "TMP-CP/kc_99.save/K00001/eigenval1.xml", "TMP-CP/kc_99.save/K00001/eigenval2.xml", "TMP-CP/kc_99.save/K00001/evc01.dat", "TMP-CP/kc_99.save/K00001/evc02.dat", "TMP-CP/kc_99.save/K00001/evc0_empty1.dat", "TMP-CP/kc_99.save/K00001/evc0_empty2.dat", "TMP-CP/kc_99.save/K00001/evc1.dat", "TMP-CP/kc_99.save/K00001/evc2.dat", "TMP-CP/kc_99.save/K00001/evc_empty1.dat", "TMP-CP/kc_99.save/K00001/evc_empty2.dat", "TMP-CP/kc_99.save/K00001/evcm1.dat", "TMP-CP/kc_99.save/K00001/evcm2.dat", "TMP-CP/kc_99.save/K00001/gkvectors.dat", "TMP-CP/kc_99.save/K00001/hamiltonian1.xml", "TMP-CP/kc_99.save/K00001/hamiltonian2.xml", "TMP-CP/kc_99.save/K00001/hamiltonian_emp1.xml", "TMP-CP/kc_99.save/K00001/hamiltonian_emp2.xml", "TMP-CP/kc_99.save/K00001/lambda01.dat", "TMP-CP/kc_99.save/K00001/lambda02.dat", "TMP-CP/kc_99.save/K00001/lambdam1.dat", "TMP-CP/kc_99.save/K00001/lambdam2.dat", "TMP-CP/kc_99.save/O_ONCV_PBE-1.2.upf", "TMP-CP/kc_99.save/charge-density.dat", "TMP-CP/kc_99.save/data-file.xml", "TMP-CP/kc_99.save/gvectors.dat", "TMP-CP/kc_99.save/print_counter.xml", "TMP-CP/kc_99.save/spin-polarization.dat", "dft_nspin2_dummy.cpo", "dft_nspin2_dummy.ham.pkl"]} |
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