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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2011-09-23 18:06:55 +00:00
parent 2d99de131d
commit 19e8c92a90
468 changed files with 4628 additions and 5204 deletions
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11
src/pair_morse.cpp
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@ -24,9 +24,6 @@
using namespace LAMMPS_NS;
#define MIN(a,b) ((a) < (b) ? (a) : (b))
#define MAX(a,b) ((a) > (b) ? (a) : (b))
/* ---------------------------------------------------------------------- */
PairMorse::PairMorse(LAMMPS *lmp) : Pair(lmp) {}
@ -155,7 +152,7 @@ void PairMorse::allocate()
void PairMorse::settings(int narg, char **arg)
{
if (narg != 1) error->all("Illegal pair_style command");
if (narg != 1) error->all(FLERR,"Illegal pair_style command");
cut_global = force->numeric(arg[0]);
@ -175,7 +172,7 @@ void PairMorse::settings(int narg, char **arg)
void PairMorse::coeff(int narg, char **arg)
{
if (narg < 5 || narg > 6) error->all("Incorrect args for pair coefficients");
if (narg < 5 || narg > 6) error->all(FLERR,"Incorrect args for pair coefficients");
if (!allocated) allocate();
int ilo,ihi,jlo,jhi;
@ -201,7 +198,7 @@ void PairMorse::coeff(int narg, char **arg)
}
}
if (count == 0) error->all("Incorrect args for pair coefficients");
if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
}
@ -211,7 +208,7 @@ void PairMorse::coeff(int narg, char **arg)
double PairMorse::init_one(int i, int j)
{
if (setflag[i][j] == 0) error->all("All pair coeffs are not set");
if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
morse1[i][j] = 2.0*d0[i][j]*alpha[i][j];