ASE Member List

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

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