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a49d591d
Update d2_blip.h
· a49d591d
Marcin Kirsz
authored
2 months ago
include/tadah/models/descriptors/d2/d2_blip.h
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@@ -5,10 +5,10 @@
/** \brief Blip two-body descriptor.
*
* \f[
* V_i^{\eta,r_s} =\sum_{j \neq i}
B
(\eta(r_{ij}-r_s))f_c(r_{ij})
* V_i^{\eta,r_s} =\sum_{j \neq i}
\mathcal{B}
(\eta(r_{ij}-r_s))f_c(r_{ij})
* \f]
*
* where \f$ f_c \f$ is a cutoff function and \f$
B
\f$ is a blip
* where \f$ f_c \f$ is a cutoff function and \f$
\mathcal{B}
\f$ is a blip
* basis function centered at \f$r_s\f$ of width \f$4/\eta\f$.
*
* \ref CGRID2B parameters control position \f$ r_s \f$ of blip centres.
@@ -20,7 +20,7 @@
*
* \f[
\begin{equation}
B
(r) =
\mathcal{B}
(r) =
\begin{cases}
1-\frac{3}{2}r^2+\frac{3}{4}|r|^3 & \text{if} \qquad 0<|r|<1\\
\frac{1}{4}(2-|r|)^3 & \text{if} \qquad 1<|r|<2\\
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