git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9727 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -68,7 +68,8 @@ DumpDCD::DumpDCD(LAMMPS *lmp, int narg, char **arg) : Dump(lmp, narg, arg)
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// allocate global array for atom coords
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// allocate global array for atom coords
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bigint n = group->count(igroup);
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bigint n = group->count(igroup);
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if (n > MAXSMALLINT/sizeof(float)) error->all(FLERR,"Too many atoms for dump dcd");
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if (n > MAXSMALLINT/sizeof(float))
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error->all(FLERR,"Too many atoms for dump dcd");
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natoms = static_cast<int> (n);
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natoms = static_cast<int> (n);
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memory->create(coords,3*natoms,"dump:coords");
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memory->create(coords,3*natoms,"dump:coords");
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