void unpack_forward(int, FFT_SCALAR *, int, int *);
void pack_reverse(int, FFT_SCALAR *, int, int *);
void unpack_reverse(int, FFT_SCALAR *, int, int *);
};
}
#endif
#endif
/* ERROR/WARNING messages:
E: Illegal ... command
Self-explanatory. Check the input script syntax and compare to the
documentation for the command. You can use -echo screen as a
command-line option when running LAMMPS to see the offending line.
E: Cannot use PPPMDisp with 2d simulation
The kspace style pppm/disp cannot be used in 2d simulations. You can
use 2d pppm/disp in a 3d simulation; see the kspace_modify command.
E: PPPMDisp can only currently be used with comm_style brick
This is a current restriction in LAMMPS.
E: Cannot use nonperiodic boundaries with PPPMDisp
For kspace style pppm/disp, all 3 dimensions must have periodic
boundaries unless you use the kspace_modify command to define a 2d
slab with a non-periodic z dimension.
E: Incorrect boundaries with slab PPPMDisp
Must have periodic x,y dimensions and non-periodic z dimension to use
2d slab option with pppm/disp.
E: PPPMDisp coulomb order cannot be greater than %d
This is a limitation of the PPPM implementation in LAMMPS.
E: KSpace style is incompatible with Pair style
Setting a kspace style requires that a pair style with matching
long-range Coulombic or dispersion components be used.
E: Unsupported order in kspace_style pppm/disp, pair_style %s
Only pair styles with 1/r and 1/r^6 dependence are currently supported.
W: Charges are set, but coulombic solver is not used
Self-explanatory.
E: PPPMDisp used but no parameters set, for further information please see the pppm/disp documentation
An efficient and accurate usage of the pppm/disp requires settings via the kspace_modify command. Please see the pppm/disp documentation for further instructions.
E: Bond and angle potentials must be defined for TIP4P
Cannot use TIP4P pair potential unless bond and angle potentials