mirror of https://github.com/QMCPACK/qmcpack.git
26 lines
579 B
Python
Executable File
26 lines
579 B
Python
Executable File
#!/usr/bin/env python3
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from afqmctools.utils.qmcpack_utils import write_xml_input
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options = {
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"execute": {
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"nWalkers": 10,
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"blocks": 1000,
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"timestep": 0.01,
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"Estimator": {
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"back_propagation": {
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"ortho": 1,
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"naverages": 4,
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"obs": {
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"OneRDM": {}
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},
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"block_size": 2,
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"nsteps": 200
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}
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}
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}
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}
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write_xml_input("afqmc.xml", "afqmc.h5", "afqmc.h5",
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options=options, rng_seed=7)
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