consistent name for pot file, symbolic link in examples

2020-01-15 20:45:13 +00:00 · 2020-01-15 20:45:13 +00:00 · cb20d73a82
parent f888c436c3
commit cb20d73a82
4 changed files with 3 additions and 1 deletions
--- a/examples/USER/misc/mesocnt/C_10_10.mesocnt
+++ b/examples/USER/misc/mesocnt/C_10_10.mesocnt
@ -0,0 +1 @@
+../../../../potentials/C_10_10.mesocnt
--- a/examples/USER/misc/mesocnt/in.cnt
+++ b/examples/USER/misc/mesocnt/in.cnt
@ -22,7 +22,7 @@ angle_style       harmonic
 angle_coeff       1 46562.17 180.0

 pair_style        mesocnt
-pair_coeff      * * 10_10.cnt
+pair_coeff      * * C_10_10.mesocnt

 #Output

--- a/potentials/C_10_10.mesocnt
+++ b/potentials/C_10_10.mesocnt
--- a/potentials/README
+++ b/potentials/README
@ -89,6 +89,7 @@ lcbop         LCBOP long-range bond-order potential
 meam	      modified EAM (MEAM) library and individual elements/alloys
 meam.spline   modified EAM (MEAM) spline potential
 meam.sw.spline modified EAM (MEAM) Stillinger-Weber spline potential
+mesocnt       mesoscopic carbon nanotube (CNT) potential
 mgpt          model generalized pseudopotential theory (MGPT) potential
 nb3b.harmonic nonbonded 3-body harmonic potential
 poly          polymorphic 3-body potential