mirror of https://github.com/TREX-CoE/qmc-lttc.git
24 lines
460 B
Python
24 lines
460 B
Python
#!/usr/bin/env python3
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import numpy as np
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def potential(r):
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distance = np.sqrt(np.dot(r,r))
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assert (distance > 0)
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return -1. / distance
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def psi(a, r):
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return np.exp(-a*np.sqrt(np.dot(r,r)))
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def kinetic(a,r):
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distance = np.sqrt(np.dot(r,r))
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assert (distance > 0.)
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return a * (1./distance - 0.5 * a)
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def e_loc(a,r):
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return kinetic(a,r) + potential(r)
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def drift(a,r):
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ar_inv = -a/np.sqrt(np.dot(r,r))
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return r * ar_inv
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