Commit d3c90f3c authored by sjplimp's avatar sjplimp Committed by GitHub
Browse files

Merge pull request #510 from akohlmey/collected-small-changes

Collected small changes
parents 1a290489 b62d526c
Loading
Loading
Loading
Loading

doc/src/Eqs/pair_lj_sf.jpg

deleted100644 → 0
−15.2 KiB
Loading image diff...

doc/src/Eqs/pair_lj_sf.tex

deleted100644 → 0
+0 −11
Original line number Diff line number Diff line
\documentclass[12pt]{article}

\begin{document}

\begin{eqnarray*}
 F & = & F_{\mathrm{LJ}}(r) - F_{\mathrm{LJ}}(r_{\mathrm{c}}) \qquad r < r_{\mathrm{c}} \\
 E & = & E_{\mathrm{LJ}}(r) - E_{\mathrm{LJ}}(r_{\mathrm{c}}) + (r - r_{\mathrm{c}}) F_{\mathrm{LJ}}(r_{\mathrm{c}}) \qquad r < r_{\mathrm{c}} \\
 \mathrm{with} \qquad E_{\mathrm{LJ}}(r) & = & 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} - \left(\frac{\sigma}{r}\right)^6 \right] \qquad \mathrm{and} \qquad F_{\mathrm{LJ}}(r) = - E^\prime_{\mathrm{LJ}}(r)
\end{eqnarray*}                           

\end{document}
+0 −1
Original line number Diff line number Diff line
@@ -1039,7 +1039,6 @@ package"_Section_start.html#start_3.
"lj/sdk (gko)"_pair_sdk.html,
"lj/sdk/coul/long (go)"_pair_sdk.html,
"lj/sdk/coul/msm (o)"_pair_sdk.html,
"lj/sf (o)"_pair_lj_sf.html,
"meam/spline (o)"_pair_meam_spline.html,
"meam/sw/spline"_pair_meam_sw_spline.html,
"mgpt"_pair_mgpt.html,
+2 −2
Original line number Diff line number Diff line
@@ -2027,8 +2027,8 @@ algorithm to formulate single-particle constraint functions
g(xi,yi,zi) = 0 and their derivative (i.e. the normal of the manifold)
n = grad(g).

[Author:] Stefan Paquay (Eindhoven University of Technology (TU/e), The
Netherlands)
[Author:] Stefan Paquay (until 2017: Eindhoven University of Technology (TU/e), The
Netherlands; since 2017: Brandeis University, Waltham, MA, USA)

[Install or un-install:]
  
+1 −1
Original line number Diff line number Diff line
@@ -47,7 +47,7 @@ keyword = {scale} or {reset} :l
fix 1 all adapt 1 pair soft a 1 1 v_prefactor
fix 1 all adapt 1 pair soft a 2* 3 v_prefactor
fix 1 all adapt 1 pair lj/cut epsilon * * v_scale1 coul/cut scale 3 3 v_scale2 scale yes reset yes
fix 1 all adapt 10 atom diameter v_size
fix 1 all adapt 10 atom diameter v_size :pre

variable ramp_up equal "ramp(0.01,0.5)"
fix stretch all adapt 1 bond harmonic r0 1 v_ramp_up :pre
Loading