mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-12-23 04:43:57 +01:00
Fix errors in latex formating of equations in Numerical orbitals
This commit is contained in:
parent
c368ac4c9d
commit
0a488e16bc
6
trex.org
6
trex.org
@ -276,10 +276,10 @@
|
|||||||
Laplacian easily as follows:
|
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
|
The index of the first data point for each shell is stored in
|
||||||
@ -303,7 +303,7 @@
|
|||||||
\]
|
\]
|
||||||
where
|
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
|
For convenience, this conversion and functions to evaluate the splines
|
||||||
are provided with trexio. Since these implementations are not adapted to
|
are provided with trexio. Since these implementations are not adapted to
|
||||||
|
Loading…
Reference in New Issue
Block a user