int main(int argc,char *argv[])
{
const char *desc[] = {
- "[TT]g_sigeps[tt] is a simple utility that converts c6/c12 or c6/cn combinations",
- "to sigma and epsilon, or vice versa. It can also plot the potential",
- "in file. In addition it makes an approximation of a Buckingham potential",
- "to a Lennard Jones potential."
+ "[TT]g_sigeps[tt] is a simple utility that converts C6/C12 or C6/Cn combinations",
+ "to [GRK]sigma[grk] and [GRK]epsilon[grk], or vice versa. It can also plot the potential",
+ "in file. In addition, it makes an approximation of a Buckingham potential",
+ "to a Lennard-Jones potential."
};
static real c6=1.0e-3,cn=1.0e-6,qi=0,qj=0,sig=0.3,eps=1,sigfac=0.7;
static real Abh=1e5,Bbh=32,Cbh=1e-3;