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quantum_package/src/Perturbation/h_apply.py

17 lines
357 B
Python
Executable File

#!/usr/bin/env python
from generate_h_apply import *
s = H_apply("cisd_pt2",openmp=True)
#s.set_perturbation("epstein_nesbet_2x2")
s.set_perturbation("epstein_nesbet")
#s["keys_work"] += """
#call fill_H_apply_buffer_cisd(key_idx,keys_out,N_int)
#"""
print s
s = H_apply("cisd_selection",openmp=True)
s.set_selection_pt2("epstein_nesbet_2x2")
print s