fixed include, fixed numdiff forces getting called before initialization

This commit is contained in:
Sievers
2020-02-27 10:48:46 -07:00
parent 67bfda532f
commit 236535f61b
2 changed files with 39 additions and 23 deletions

View File

@ -48,12 +48,12 @@ private:
double **numdiff_forces; // finite diff forces
double **temp_f; // original forces
double **temp_x; // original coords
double update_energy(int vflag);
void force_clear(double **forces);
void create_groupmap();
void displace_atom(int local_idx, int direction, int magnitude);
void reset_atom_position(int local_idx, int direction, double position);
void calculate_forces(int vflag);
};