From 0a488e16bc9bf3c081f4ce30a874efb525ad6b83 Mon Sep 17 00:00:00 2001 From: Otto Kohulak Date: Wed, 13 Mar 2024 13:59:57 +0100 Subject: [PATCH] Fix errors in latex formating of equations in Numerical orbitals --- trex.org | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/trex.org b/trex.org index e2f79119..93dce8c6 100644 --- a/trex.org +++ b/trex.org @@ -276,10 +276,10 @@ Laplacian easily as follows: \[ - \grad_{x_i} \phi = \frac{x_i}{r^2}\left u\prime(r) - \frac{u(r)}{r}\right + \nabla_{x_i} \phi = \frac{x_i}{r^2}\left( u^\prime\left(r\right) - \frac{u\left(r\right)}{r}\right) \] \[ - \Delta \phi = \frac{1}{r^3}\left x^2 u''(r) + \left3x^2-r^2\right \left \frac{u(r)}{r^2} - \frac{u'(r)}{r}\right \right + \Delta \phi = \frac{1}{r^3}\left(x^2 u^{\prime\prime}(r) + \left( 3x^2-r^2\right) \left( \frac{u(r)}{r^2} - \frac{u'(r)}{r}\right) \right) \] The index of the first data point for each shell is stored in @@ -303,7 +303,7 @@ \] where \[ - c = \log\left \frac{r_1}{r_0}\right. + c = \log\left(\frac{r_1}{r_0}\right) \] For convenience, this conversion and functions to evaluate the splines are provided with trexio. Since these implementations are not adapted to