ICODE-ADC/lammps
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Merge branch 'develop' into gran-temp

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This commit is contained in:
jtclemm
2023-01-10 09:58:50 -07:00
parent 531912a3c8 b3396f109b
commit f175a15627
1738 changed files with 304144 additions and 98116 deletions
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6
src/atom.cpp
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@ -216,7 +216,7 @@ Atom::Atom(LAMMPS *_lmp) : Pointers(_lmp)
// DIELECTRIC package
area = ed = em = epsilon = curvature = q_unscaled = nullptr;
area = ed = em = epsilon = curvature = q_scaled = nullptr;
// end of customization section
// --------------------------------------------------------------------
@ -568,7 +568,7 @@ void Atom::peratom_create()
add_peratom("em",&em,DOUBLE,0);
add_peratom("epsilon",&epsilon,DOUBLE,0);
add_peratom("curvature",&curvature,DOUBLE,0);
add_peratom("q_unscaled",&q_unscaled,DOUBLE,0);
add_peratom("q_scaled",&q_scaled,DOUBLE,0);
// end of customization section
// --------------------------------------------------------------------
@ -2967,7 +2967,7 @@ void *Atom::extract(const char *name)
if (strcmp(name,"em") == 0) return (void *) em;
if (strcmp(name,"epsilon") == 0) return (void *) epsilon;
if (strcmp(name,"curvature") == 0) return (void *) curvature;
if (strcmp(name,"q_unscaled") == 0) return (void *) q_unscaled;
if (strcmp(name,"q_scaled") == 0) return (void *) q_scaled;
// end of customization section
// --------------------------------------------------------------------