NAMD
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This is the complete list of members for GridforceGrid, including all inherited members.
compute_VdV(Position pos, float &V, Vector &dV) const | GridforceGrid | inline |
fits_lattice(const Lattice &lattice) | GridforceGrid | |
get_all_gridvals(float **all_gridvals) const =0 | GridforceGrid | pure virtual |
get_center(void) const =0 | GridforceGrid | pure virtual |
get_checksize(void) const =0 | GridforceGrid | pure virtual |
get_corner(int idx) | GridforceGrid | protected |
get_e(void) const =0 | GridforceGrid | pure virtual |
get_grid_type(void) | GridforceGrid | inline |
get_inv(void) const =0 | GridforceGrid | pure virtual |
get_k0(void) const =0 | GridforceGrid | pure virtual |
get_k1(void) const =0 | GridforceGrid | pure virtual |
get_k2(void) const =0 | GridforceGrid | pure virtual |
get_origin(void) const =0 | GridforceGrid | pure virtual |
get_scale(void) const =0 | GridforceGrid | pure virtual |
get_total_grids(void) const =0 | GridforceGrid | pure virtual |
GridforceGrid() | GridforceGrid | inlineprotected |
GridforceGridType enum name | GridforceGrid | |
GridforceGridTypeFull enum value | GridforceGrid | |
GridforceGridTypeLite enum value | GridforceGrid | |
GridforceGridTypeUndefined enum value | GridforceGrid | |
initialize(char *potfilename, SimParameters *simParams, MGridforceParams *mgridParams)=0 | GridforceGrid | pure virtual |
mygridnum | GridforceGrid | protected |
new_grid(int gridnum, char *potfilename, SimParameters *simParams, MGridforceParams *mgridParams) | GridforceGrid | static |
pack(MOStream *msg) const =0 | GridforceGrid | protectedpure virtual |
pack_grid(GridforceGrid *grid, MOStream *msg) | GridforceGrid | static |
reinitialize(SimParameters *simParams, MGridforceParams *mgridParams)=0 | GridforceGrid | pure virtual |
set_all_gridvals(float *all_gridvals, long int sz)=0 | GridforceGrid | pure virtual |
set_scale(Vector s)=0 | GridforceGrid | pure virtual |
type | GridforceGrid | protected |
unpack(MIStream *msg)=0 | GridforceGrid | protectedpure virtual |
unpack_grid(int gridnum, MIStream *msg) | GridforceGrid | static |
wrap_position(const Position &pos, const Lattice &lattice) | GridforceGrid | inline |
~GridforceGrid() | GridforceGrid | virtual |