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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2824 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2009-05-19 15:01:02 +00:00
parent b6cd5233bd
commit 4fb6be1468
1 changed files with 18 additions and 0 deletions
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18
src/atom.cpp
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@ -1126,6 +1126,15 @@ void Atom::set_shape(const char *str)
if (shape[itype][0] < 0.0 || shape[itype][1] < 0.0 || shape[itype][2] < 0.0) if (shape[itype][0] < 0.0 || shape[itype][1] < 0.0 || shape[itype][2] < 0.0)
error->all("Invalid shape value"); error->all("Invalid shape value");
if (shape[itype][0] == 0.0 &&
(shape[itype][1] != 0.0 || shape[itype][2] != 0.0))
error->all("Invalid shape value");
if (shape[itype][1] == 0.0 &&
(shape[itype][0] != 0.0 || shape[itype][2] != 0.0))
error->all("Invalid shape value");
if (shape[itype][2] == 0.0 &&
(shape[itype][0] != 0.0 || shape[itype][1] != 0.0))
error->all("Invalid shape value");
} }
/* ---------------------------------------------------------------------- /* ----------------------------------------------------------------------
@ -1153,6 +1162,15 @@ void Atom::set_shape(int narg, char **arg)
if (shape[itype][0] < 0.0 || shape[itype][1] < 0.0 || if (shape[itype][0] < 0.0 || shape[itype][1] < 0.0 ||
shape[itype][2] < 0.0) shape[itype][2] < 0.0)
error->all("Invalid shape value"); error->all("Invalid shape value");
if (shape[itype][0] == 0.0 &&
(shape[itype][1] != 0.0 || shape[itype][2] != 0.0))
error->all("Invalid shape value");
if (shape[itype][1] == 0.0 &&
(shape[itype][0] != 0.0 || shape[itype][2] != 0.0))
error->all("Invalid shape value");
if (shape[itype][2] == 0.0 &&
(shape[itype][0] != 0.0 || shape[itype][1] != 0.0))
error->all("Invalid shape value");
} }
} }