GAUSSIAN Member List

This is the complete list of members for GAUSSIAN, including all inherited members.

alloc(int natoms)	GAUSSIAN
anames	GAUSSIAN	[private]
anumbers	GAUSSIAN	[private]
CHARGE	GAUSSIAN
energy	GAUSSIAN
energy0	GAUSSIAN
fileloc	GAUSSIAN	[private]
firstrun	GAUSSIAN	[private]
freemem()	GAUSSIAN
get_energy_grad(string file, double *grad, int natoms)	GAUSSIAN	[private]
gradcalls	GAUSSIAN
grads(double *coords, double *grads)	GAUSSIAN
init(string infilename, int natoms, int *anumbers, string *anames, int run, int rune)	GAUSSIAN
MULT	GAUSSIAN
natoms	GAUSSIAN	[private]
ncpu	GAUSSIAN
nscffail	GAUSSIAN	[private]
outfile	GAUSSIAN	[private]
runend	GAUSSIAN	[private]
runName	GAUSSIAN	[private]
runName0	GAUSSIAN	[private]
runNum	GAUSSIAN	[private]
scrBaseDir	GAUSSIAN	[private]
scrdir	GAUSSIAN	[private]
write_xyz_grad(double *coords, double *grad, string filename)	GAUSSIAN