Mopac Member List
This is the complete list of members for
Mopac, including all inherited members.
| alloc(int natoms) | Mopac | |
| anames | Mopac | [private] |
| anumbers | Mopac | [private] |
| energy | Mopac | |
| energy0 | Mopac | |
| freemem() | Mopac | |
| freeze(int *frzlist, int nfrz, int nfrz0) | Mopac | |
| frzlist | Mopac | [private] |
| frzlistb | Mopac | [private] |
| grad | Mopac | |
| grad_header(ofstream &inpfile) | Mopac | [private] |
| gradcalls | Mopac | [private] |
| grads(string filename) | Mopac | |
| id | Mopac | [private] |
| init(int natoms, int *anumbers, string *anames, double *xyz) | Mopac | |
| natoms | Mopac | [private] |
| nfrz | Mopac | [private] |
| nfrz0 | Mopac | [private] |
| opt() | Mopac | |
| opt(string filename) | Mopac | |
| opt(string filename, ICoord icoords) | Mopac | |
| opt_header(ofstream &inpfile) | Mopac | [private] |
| read_grad(string filename) | Mopac | [private] |
| read_output(string filename) | Mopac | [private] |
| reset(int natoms, int *anumbers, string *anames, double *xyz) | Mopac | |
| reset(double *xyz_i) | Mopac | |
| rnum | Mopac | [private] |
| write_ic_input(ofstream &inpfile, int anum, ICoord icoords) | Mopac | [private] |
| write_xyz_grad(string filename) | Mopac | |
| xyz | Mopac | |
| xyz0 | Mopac | |
| xyz_read(string filename) | Mopac | [private] |
| xyz_save(string filename) | Mopac | [private] |
1.6.1
