diff --git a/doc/src/Eqs/cnp_cutoff.jpg b/doc/src/Eqs/cnp_cutoff.jpg deleted file mode 100644 index fae5c6b636..0000000000 Binary files a/doc/src/Eqs/cnp_cutoff.jpg and /dev/null differ diff --git a/doc/src/Eqs/cnp_cutoff.tex b/doc/src/Eqs/cnp_cutoff.tex deleted file mode 100644 index f74166e608..0000000000 --- a/doc/src/Eqs/cnp_cutoff.tex +++ /dev/null @@ -1,14 +0,0 @@ -\documentclass[12pt,article]{article} - -\usepackage{indentfirst} -\usepackage{amsmath} - -\begin{document} - -\begin{eqnarray*} - r_{c}^{fcc} & = & \frac{1}{2} \left(\frac{\sqrt{2}}{2} + 1\right) \mathrm{a} \simeq 0.8536 \:\mathrm{a} \\ - r_{c}^{bcc} & = & \frac{1}{2}(\sqrt{2} + 1) \mathrm{a} \simeq 1.207 \:\mathrm{a} \\ - r_{c}^{hcp} & = & \frac{1}{2}\left(1+\sqrt{\frac{4+2x^{2}}{3}}\right) \mathrm{a} -\end{eqnarray*} - -\end{document} diff --git a/doc/src/Eqs/compute_dpd.jpg b/doc/src/Eqs/compute_dpd.jpg deleted file mode 100644 index 549f259c6c..0000000000 Binary files a/doc/src/Eqs/compute_dpd.jpg and /dev/null differ diff --git a/doc/src/Eqs/compute_dpd.tex b/doc/src/Eqs/compute_dpd.tex deleted file mode 100644 index e46b0b4dd6..0000000000 --- a/doc/src/Eqs/compute_dpd.tex +++ /dev/null @@ -1,13 +0,0 @@ -\documentstyle[12pt]{article} -\pagestyle{empty} -\begin{document} - -\begin{eqnarray*} - U^{cond} = \displaystyle\sum_{i=1}^{N} u_{i}^{cond} \\ - U^{mech} = \displaystyle\sum_{i=1}^{N} u_{i}^{mech} \\ - U^{chem} = \displaystyle\sum_{i=1}^{N} u_{i}^{chem} \\ - U = \displaystyle\sum_{i=1}^{N} (u_{i}^{cond} + u_{i}^{mech} + u_{i}^{chem}) \\ - \theta_{avg} = (\frac{1}{N}\displaystyle\sum_{i=1}^{N} \frac{1}{\theta_{i}})^{-1} \\ -\end{eqnarray*} - -\end{document} diff --git a/doc/src/Eqs/compute_fep_bar.jpg b/doc/src/Eqs/compute_fep_bar.jpg deleted file mode 100644 index 772ec9c045..0000000000 Binary files a/doc/src/Eqs/compute_fep_bar.jpg and /dev/null differ diff --git a/doc/src/Eqs/compute_fep_bar.tex b/doc/src/Eqs/compute_fep_bar.tex deleted file mode 100644 index a40aa1c297..0000000000 --- a/doc/src/Eqs/compute_fep_bar.tex +++ /dev/null @@ -1,7 +0,0 @@ -\documentstyle[12pt]{article} - -\begin{document} - -\[ \left< \frac{1}{1 + \exp\left[\left(U_1 - U_0 - \Delta_0^1A \right) /kT \right]} \right>_0 = \left< \frac{1}{1 + \exp\left[\left(U_0 - U_1 + \Delta_0^1A \right) /kT \right]} \right>_1 \] - -\end{document} diff --git a/doc/src/Eqs/compute_fep_fdti.jpg b/doc/src/Eqs/compute_fep_fdti.jpg deleted file mode 100644 index ae8de241cc..0000000000 Binary files a/doc/src/Eqs/compute_fep_fdti.jpg and /dev/null differ diff --git a/doc/src/Eqs/compute_fep_fdti.tex b/doc/src/Eqs/compute_fep_fdti.tex deleted file mode 100644 index fdea6faa3d..0000000000 --- a/doc/src/Eqs/compute_fep_fdti.tex +++ /dev/null @@ -1,10 +0,0 @@ -\documentstyle[12pt]{article} - -\begin{document} - -\[ \Delta_0^1 A = \int_{\lambda=0}^{\lambda=1} \left( \frac{\partial - A(\lambda)}{\partial\lambda} \right)_\lambda \mathrm{d}\lambda -\approx \sum_{i=0}^{n-1} w_i \frac{A(\lambda_{i} + \delta) - - A(\lambda_i)}{\delta} \] - -\end{document} diff --git a/doc/src/Eqs/compute_fep_fep.jpg b/doc/src/Eqs/compute_fep_fep.jpg deleted file mode 100644 index d84a76b0dd..0000000000 Binary files a/doc/src/Eqs/compute_fep_fep.jpg and /dev/null differ diff --git a/doc/src/Eqs/compute_fep_fep.tex b/doc/src/Eqs/compute_fep_fep.tex deleted file mode 100644 index 718aad3c40..0000000000 --- a/doc/src/Eqs/compute_fep_fep.tex +++ /dev/null @@ -1,9 +0,0 @@ -\documentstyle[12pt]{article} - -\begin{document} - -\[ \Delta_0^1 A = \sum_{i=0}^{n-1} \Delta_{\lambda_i}^{\lambda_{i+1}} A = -- kT \sum_{i=0}^{n-1} \ln \left< \exp \left( - \frac{U(\lambda_{i+1}) - - U(\lambda_i)}{kT} \right) \right>_{\lambda_i} \] - -\end{document} diff --git a/doc/src/Eqs/compute_fep_lambda.jpg b/doc/src/Eqs/compute_fep_lambda.jpg deleted file mode 100644 index 5ef9e8b9f2..0000000000 Binary files a/doc/src/Eqs/compute_fep_lambda.jpg and /dev/null differ diff --git a/doc/src/Eqs/compute_fep_lambda.tex b/doc/src/Eqs/compute_fep_lambda.tex deleted file mode 100644 index 08c8faaa3c..0000000000 --- a/doc/src/Eqs/compute_fep_lambda.tex +++ /dev/null @@ -1,10 +0,0 @@ -\documentstyle[12pt]{article} - -\begin{document} - -\begin{eqnarray*} - \lambda = 0 \quad\Rightarrow\quad U = U_{\mathrm{bg}} + U_0 \\ - \lambda = 1 \quad\Rightarrow\quad U = U_{\mathrm{bg}} + U_1 -\end{eqnarray*} - -\end{document} diff --git a/doc/src/Eqs/compute_fep_ti.jpg b/doc/src/Eqs/compute_fep_ti.jpg deleted file mode 100644 index 6b0c8fdc19..0000000000 Binary files a/doc/src/Eqs/compute_fep_ti.jpg and /dev/null differ diff --git a/doc/src/Eqs/compute_fep_ti.tex b/doc/src/Eqs/compute_fep_ti.tex deleted file mode 100644 index 6222dbd503..0000000000 --- a/doc/src/Eqs/compute_fep_ti.tex +++ /dev/null @@ -1,10 +0,0 @@ -\documentstyle[12pt]{article} - -\begin{document} - -\[ \Delta_0^1 A = \int_{\lambda=0}^{\lambda=1} \left< \frac{\partial - U(\lambda)}{\partial\lambda} \right>_\lambda \mathrm{d}\lambda -\approx \sum_{i=0}^{n-1} w_i \left< \frac{U(\lambda_{i} + \delta) - - U(\lambda_i)}{\delta} \right>_{\lambda_i} \] - -\end{document} diff --git a/doc/src/Eqs/compute_fep_u.jpg b/doc/src/Eqs/compute_fep_u.jpg deleted file mode 100644 index 62df5dd0c0..0000000000 Binary files a/doc/src/Eqs/compute_fep_u.jpg and /dev/null differ diff --git a/doc/src/Eqs/compute_fep_u.tex b/doc/src/Eqs/compute_fep_u.tex deleted file mode 100644 index e847a9ac44..0000000000 --- a/doc/src/Eqs/compute_fep_u.tex +++ /dev/null @@ -1,7 +0,0 @@ -\documentstyle[12pt]{article} - -\begin{document} - -\[ U(\lambda) = U_{\mathrm{bg}} + U_1(\lambda) + U_0(\lambda) \] - -\end{document} diff --git a/doc/src/Eqs/compute_fep_vol.jpg b/doc/src/Eqs/compute_fep_vol.jpg deleted file mode 100644 index a66facad39..0000000000 Binary files a/doc/src/Eqs/compute_fep_vol.jpg and /dev/null differ diff --git a/doc/src/Eqs/compute_fep_vol.tex b/doc/src/Eqs/compute_fep_vol.tex deleted file mode 100644 index 0301e39788..0000000000 --- a/doc/src/Eqs/compute_fep_vol.tex +++ /dev/null @@ -1,9 +0,0 @@ -\documentstyle[12pt]{article} - -\begin{document} - -\[ \Delta_0^1 A = - kT \sum_{i=0}^{n-1} \ln \frac{\left< V \exp \left( - - \frac{U(\lambda_{i+1}) - U(\lambda_i)}{kT} \right) -\right>_{\lambda_i}}{\left< V \right>_{\lambda_i}} \] - -\end{document}