ORCA Member List

This is the complete list of members for ORCA, including all inherited members.
alloc(int natoms)ORCA
anamesORCA [private]
anumbersORCA [private]
energyORCA
energy0ORCA
filelocORCA [private]
firstrunORCA [private]
freemem()ORCA
get_energy_grad(string file, double *grad, int natoms)ORCA [private]
gradcallsORCA
grads(double *coords, double *grads)ORCA
init(string infilename, int natoms, int *anumbers, string *anames, int run, int rune)ORCA
natomsORCA [private]
ncpuORCA
nscffailORCA [private]
outfileORCA [private]
runendORCA [private]
runNameORCA [private]
runName0ORCA [private]
runNumORCA [private]
scrBaseDirORCA [private]
scrdirORCA [private]
write_xyz_grad(double *coords, double *grad, string filename)ORCA
 All Classes Namespaces Files Functions Variables Defines
Generated on 18 Dec 2016 by  doxygen 1.6.1