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26 lines
492 B
Plaintext
26 lines
492 B
Plaintext
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1- prepare the dressing vector in EZFIO/dmc_dress/dmc_delta_h with:
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[aammar@lcpq-curie dress_opt]$ python dress_SVD.py
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2- run:
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[aammar@lcpq-curie dress_opt]$ qp run dmc_dress
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3- update the wavefunction in the EZFIO with:
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[aammar@lcpq-curie dress_opt]$ qp run dmc_dress
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4- to do the calculation without SVD, put -1 for n_SVD
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in EZFIO/spindeterminants/n_svd_coefs. Otherwise, run:
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[aammar@lcpq-curie dress_opt]$ qp run FSVD_trunc
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