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Merge branch 'QuantumPackage:dev-pbc' into dev-pbc
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2536f41126
@ -385,7 +385,8 @@ def convert_kpts(filename,qph5path,qmcpack=True):
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# dfao_im0=qph5['ao_two_e_ints/df_ao_integrals_imag'][()].transpose((3,2,1,0))
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# dfao_cmplx0 = np.stack((dfao_re0,dfao_im0),axis=-1).tolist()
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# ezfio.set_ao_two_e_ints_df_ao_integrals_complex(dfao_cmplx0)
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dfao_reim=qph5['ao_two_e_ints/df_ao_integrals'][()].tolist()
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#dfao_reim=qph5['ao_two_e_ints/df_ao_integrals'][()].tolist()
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dfao_reim=qph5['ao_two_e_ints/df_ao_integrals'][()]
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ezfio.set_ao_two_e_ints_df_ao_integrals_complex(dfao_reim)
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ezfio.set_ao_two_e_ints_io_df_ao_integrals('Read')
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