Enable user-defined MRSQK reference space #210
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| @@ -126,6 +126,8 @@ def run(self, | |||
| mr_dt=0.5, | |||
| target_root=0, | |||
| reference_generator='SRQK', | |||
| refs_user_defined=None, | |||
| save_qk_matrices=False, | |||
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Please include this keyword in the docstring.
| @@ -178,9 +183,15 @@ def run(self, | |||
| self.build_refs_from_srqk() | |||
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| print('\n ==> SRQK reference selection complete.') | |||
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| elif reference_generator.lower()=='user': | |||
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Suggested change
| elif reference_generator.lower()=='user': | |
| elif reference_generator.lower() == 'user': |
| print('Trial reference state: ', ref_string(self._ref, self._nqb)) | ||
| print('Trial state preparation method: ', self._state_prep_type) | ||
| print('Reference space generator ', self._reference_generator.upper()) | ||
| if(self._reference_generator.upper()=='SRQK'): |
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Suggested change
| if(self._reference_generator.upper()=='SRQK'): | |
| if self._reference_generator.upper()=='SRQK': |
| @@ -424,15 +440,16 @@ def build_sa_qk_mats(self): | |||
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| k = p+1 | |||
| self._n_classical_params = k | |||
| if(k==1): | |||
| if(k==1) and (self._reference_generator != 'user'): | |||
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Suggested change
| if(k==1) and (self._reference_generator != 'user'): | |
| if k==1 and self._reference_generator != 'user': |
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| for i, csf in enumerate(refs_user_defined): | ||
| print('\nRef ', i+1) |
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Suggested change
| for i, csf in enumerate(refs_user_defined): | |
| print('\nRef ', i+1) | |
| for i, csf in enumerate(refs_user_defined, start=1): | |
| print('\nRef ', i) |
| if (self._print_summary_file): | ||
| f.write(f' {scond:7.2e} {np.real(evals[self._target_root]):+15.9f} {self._n_classical_params:8} {self._n_cnot:10} {self._n_pauli_trm_measures:12}\n') | ||
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| if len(evals) > self._target_root: |
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Why is this line added?
| @@ -60,6 +61,8 @@ def run(self, | |||
| self._n_cnot = 0 | |||
| self._n_pauli_trm_measures = 0 | |||
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| self._save_qk_matrices = save_qk_matrices | |||
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My understanding is that nt_srqk is called before the MRSQK. Is there a risk of MRSQK overwriting the saved QK files from here?
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Description
Enable user to input a spin-adapted reference space for MRSQK calculations.
User Notes
.npzfile)Checklist