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fixed typo
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parent
645911c910
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@ -277,7 +277,7 @@ def convert_kpts(filename,qph5path,qmcpack=True):
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if qmcpack:
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try:
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with h5py.File(qph5path,'r') as qph5:
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ezfio.set_qmcpack2_qmc_nshell(qph5['qmcpack'].attrs['qmc_nshell'])
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ezfio.set_qmcpack_qmc_nshell(qph5['qmcpack'].attrs['qmc_nshell'])
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ezfio.set_qmcpack_qmc_nshell(qph5['qmcpack'].attrs['qmc_nshell'])
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ezfio.set_qmcpack_qmc_prim_num_max(qph5['qmcpack'].attrs['qmc_prim_num_max'])
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ezfio.set_qmcpack_qmc_nucl(qph5['qmcpack/qmc_nucl'][()].tolist())
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