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Forgot H_apply

This commit is contained in:
Anthony Scemama 2016-04-01 23:46:24 +02:00
parent 27b7c34106
commit d20c63f0fe

View File

@ -24,5 +24,12 @@ s.data["size_max"] = "3072"
print s
s = H_apply_zmq("mrcc_PT2")
s.energy = "ci_electronic_energy_dressed"
s.set_perturbation("epstein_nesbet_2x2")
s.unset_openmp()
print s
END_SHELL