Todo List

Global analyze_activate (int ind)

Docs missing

Global angle_cosine_set_params (int bond_type, double bend, double phi0)

The type of the angle potential is chosen via config.h and cannot be changed at runtime.

The type of the angle potential is chosen via config.h and cannot be changed at runtime.

Global angle_cossquare_set_params (int bond_type, double bend, double phi0)

The type of the angle potential is chosen via config.h and cannot be changed at runtime.

The type of the angle potential is chosen via config.h and cannot be changed at runtime.

Global angle_harmonic_set_params (int bond_type, double bend, double phi0)

The type of the angle potential is chosen via config.h and cannot be changed at runtime.

The type of the angle potential is chosen via config.h and cannot be changed at runtime.

Global angle_set_params (int bond_type, double bend, double phi0)

The type of the angle potential is chosen via config.h and cannot be changed at runtime.

The type of the angle potential is chosen via config.h and cannot be changed at runtime.

Global centermass_vel (int type, double *com)

Docs missing

File fft-dipolar.h

Combine the forward and backward structures.

The packing routines could be moved to utils.h when they are needed elsewhere.

File fft.h

Combine the forward and backward structures.

The packing routines could be moved to utils.h when they are needed elsewhere.

File forces.h

Preprocessor switches for all forces (Default: everything is turned on).

Implement more flexible thermostat, e.g. which thermostat to use.

Global mark_neighbours (int type, int pa_nr, double dist, int *list)

Docs missing

Global momentum_calc (double *momentum)

Docs missing

Global propagate_omega_quat_particle (Particle *p)

implement for fixed_coord_flag