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fix some docstrings
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NicoRenaud committed Dec 5, 2023
1 parent cc397de commit 6ebdd88
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Showing 2 changed files with 4 additions and 4 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,7 @@ class BoysHandyJastrowKernel(JastrowKernelElectronElectronNucleiBase):
def __init__(
self, nup, ndown, atomic_pos, cuda, nterm=5
): # pylint: disable=too-many-arguments
"""Defines a Boys Handy jastrow factors.
r"""Defines a Boys Handy jastrow factors.
J.W. Moskowitz et. al
Correlated Monte Carlo Wave Functions for Some Cations and Anions of the First Row Atoms
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6 changes: 3 additions & 3 deletions qmctorch/wavefunction/slater_jastrow.py
Original file line number Diff line number Diff line change
Expand Up @@ -341,7 +341,7 @@ def gradients_jacobi(self, x, sum_grad=False, pdf=False):
are computed following
.. math::
\\nabla \\Psi(R) = \\left( \\nabla J(R) \\right) \\Sigma + J(R) \\left(\\nabla \Sigma \\right)
\\nabla \\Psi(R) = \\left( \\nabla J(R) \\right) \\Sigma + J(R) \\left(\\nabla \\Sigma \\right)
with
Expand Down Expand Up @@ -453,11 +453,11 @@ def get_kinetic_operator(self, x, ao, dao, d2ao, mo):
return -0.5 * bkin

def kinetic_energy_jacobi_backflow(self, x, **kwargs):
r"""Compute the value of the kinetic enery using the Jacobi Formula.
"""Compute the value of the kinetic enery using the Jacobi Formula.
.. math::
\\frac{\Delta (J(R) \Psi(R))}{ J(R) \Psi(R)} = \\frac{\\Delta J(R)}{J(R}
\\frac{\\Delta (J(R) \\Psi(R))}{ J(R) \\Psi(R)} = \\frac{\\Delta J(R)}{J(R}
+ 2 \\frac{\\nabla J(R)}{J(R)} \\frac{\\nabla \\Psi(R)}{\\Psi(R)}
+ \\frac{\\Delta \\Psi(R)}{\\Psi(R)}
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