diff --git a/doc/Eqs/compute_sna_atom1.jpg b/doc/Eqs/compute_sna_atom1.jpg new file mode 100644 index 0000000000..fe4b641aa6 Binary files /dev/null and b/doc/Eqs/compute_sna_atom1.jpg differ diff --git a/doc/Eqs/compute_sna_atom1.tex b/doc/Eqs/compute_sna_atom1.tex new file mode 100644 index 0000000000..93e2709bf9 --- /dev/null +++ b/doc/Eqs/compute_sna_atom1.tex @@ -0,0 +1,11 @@ +\documentclass[24pt]{article} + +\pagestyle{empty} + +\begin{document} + +\begin{eqnarray*} +\theta_0 = {\tt rfac0} \frac{r-r_{min0}}{R_{ii'}-r_{min0}} \pi +\end{eqnarray*} + +\end{document} diff --git a/doc/Eqs/compute_sna_atom2.jpg b/doc/Eqs/compute_sna_atom2.jpg new file mode 100644 index 0000000000..7a4b2c2111 Binary files /dev/null and b/doc/Eqs/compute_sna_atom2.jpg differ diff --git a/doc/Eqs/compute_sna_atom2.tex b/doc/Eqs/compute_sna_atom2.tex new file mode 100644 index 0000000000..98d8f2efa6 --- /dev/null +++ b/doc/Eqs/compute_sna_atom2.tex @@ -0,0 +1,11 @@ +\documentclass[24pt]{article} + +\pagestyle{empty} + +\begin{document} + +\begin{eqnarray*} +u^j_{m,m'} = U^j_{m,m'}(0,0,0) + \sum_{r_{ii'} < R_{ii'}}{f_c(r_{ii'}) w_{i'} U^j_{m,m'}(\theta_0,\theta,\phi)} +\end{eqnarray*} + +\end{document} diff --git a/doc/Eqs/compute_sna_atom3.jpg b/doc/Eqs/compute_sna_atom3.jpg new file mode 100644 index 0000000000..41d6774e9c Binary files /dev/null and b/doc/Eqs/compute_sna_atom3.jpg differ diff --git a/doc/Eqs/compute_sna_atom3.tex b/doc/Eqs/compute_sna_atom3.tex new file mode 100644 index 0000000000..5e3212f7bd --- /dev/null +++ b/doc/Eqs/compute_sna_atom3.tex @@ -0,0 +1,16 @@ +\documentclass[24pt]{article} + +\pagestyle{empty} + +\begin{document} + +\newcommand{\hcoeff}[9]{H\!\!{\tiny\begin{array}{l}#1 #2 #3 \\ #4 #5 #6 \\ #7 #8 #9 \end{array}}} + +\begin{equation} +B_{j_1,j_2,j} = \\ +\sum_{m_1,m'_1=-j_1}^{j_1}\sum_{m_2,m'_2=-j_2}^{j_2}\sum_{m,m'=-j}^{j} (u^j_{m,m'})^* +\hcoeff{j}{m}{m'}{j_1}{\!m_1}{\!m'_1}{j_2}{m_2}{m'_2} +u^{j_1}_{m_1,m'_1} u^{j_2}_{m_2,m'_2} +\end{equation} + +\end{document} diff --git a/doc/Eqs/compute_sna_atom4.jpg b/doc/Eqs/compute_sna_atom4.jpg new file mode 100644 index 0000000000..5d53943bf4 Binary files /dev/null and b/doc/Eqs/compute_sna_atom4.jpg differ diff --git a/doc/Eqs/compute_sna_atom4.tex b/doc/Eqs/compute_sna_atom4.tex new file mode 100644 index 0000000000..3477d163e3 --- /dev/null +++ b/doc/Eqs/compute_sna_atom4.tex @@ -0,0 +1,14 @@ +\documentclass[24pt]{article} + +\pagestyle{empty} + +\begin{document} + +\begin{eqnarray*} +\label{eqn:f_c} +f_c(r) & = & \frac{1}{2}(\cos(\pi \frac{r-r_{min0}}{R_{ii'}-r_{min0}}) + 1), r \leq R_{ii'} \\ +& = & 0, r > R_{ii'} +\end{eqnarray*} + + +\end{document} diff --git a/doc/Eqs/compute_sna_atom5.jpg b/doc/Eqs/compute_sna_atom5.jpg new file mode 100644 index 0000000000..732731fe13 Binary files /dev/null and b/doc/Eqs/compute_sna_atom5.jpg differ diff --git a/doc/Eqs/compute_sna_atom5.tex b/doc/Eqs/compute_sna_atom5.tex new file mode 100644 index 0000000000..72f5a0fe7c --- /dev/null +++ b/doc/Eqs/compute_sna_atom5.tex @@ -0,0 +1,12 @@ +\documentclass[24pt]{article} + +\pagestyle{empty} + +\begin{document} + + +\begin{equation} +- \sum_{i' \in I} \frac{\partial {B^{i'}_{j_1,j_2,j} }}{\partial {\bf r}_i} +\end{equation} + +\end{document} diff --git a/doc/Eqs/compute_sna_atom6.jpg b/doc/Eqs/compute_sna_atom6.jpg new file mode 100644 index 0000000000..963dd81416 Binary files /dev/null and b/doc/Eqs/compute_sna_atom6.jpg differ diff --git a/doc/Eqs/compute_sna_atom6.tex b/doc/Eqs/compute_sna_atom6.tex new file mode 100644 index 0000000000..7da589548b --- /dev/null +++ b/doc/Eqs/compute_sna_atom6.tex @@ -0,0 +1,12 @@ +\documentclass[24pt]{article} + +\pagestyle{empty} + +\begin{document} + + +\begin{eqnarray*} +- {\bf r}_i \otimes \sum_{i' \in I} \frac{\partial {B^{i'}_{j_1,j_2,j}}}{\partial {\bf r}_i} +\end{eqnarray*} + +\end{document} diff --git a/doc/Eqs/pair_snap.jpg b/doc/Eqs/pair_snap.jpg new file mode 100644 index 0000000000..af48357b5e Binary files /dev/null and b/doc/Eqs/pair_snap.jpg differ diff --git a/doc/Eqs/pair_snap.tex b/doc/Eqs/pair_snap.tex new file mode 100644 index 0000000000..d0a17de1fb --- /dev/null +++ b/doc/Eqs/pair_snap.tex @@ -0,0 +1,9 @@ +\documentclass[12pt]{article} + +\begin{document} + +$$ +E^i_{SNAP}(B_1^i,...,B_K^i) = \beta^{\alpha_i}_0 + \sum_{k=1}^K \beta_k^{\alpha_i} B_k^i +$$ + +\end{document} \ No newline at end of file