NAMD
GridforceLiteGrid Member List

This is the complete list of members for GridforceLiteGrid, including all inherited members.

centerGridforceLiteGridprotected
checksizeGridforceLiteGridprotected
compute_derivative_grids(void)GridforceLiteGridprotected
compute_VdV(Position pos, float &V, Vector &dV) const GridforceLiteGridinline
compute_wts(float *wts, const Vector &dg) const GridforceLiteGridinlineprotected
dkGridforceLiteGridprotected
eGridforceLiteGridprotected
filenameGridforceLiteGridprotected
fits_lattice(const Lattice &lattice)GridforceGrid
get_all_gridvals(float **all_gridvals) const GridforceLiteGridvirtual
get_center(void) const GridforceLiteGridinlinevirtual
get_checksize(void) const GridforceLiteGridinlinevirtual
get_corner(int idx)GridforceGridprotected
get_e(void) const GridforceLiteGridinlinevirtual
get_grid(int i0, int i1, int i2, int i3) const GridforceLiteGridinline
get_grid_d(int i0, int i1, int i2, int i3) const GridforceLiteGridinline
get_grid_type(void)GridforceGridinline
get_inds(Position pos, int *inds, Vector &dg) const GridforceLiteGridinlineprotected
get_inv(void) const GridforceLiteGridinlinevirtual
get_k0(void) const GridforceLiteGridinlinevirtual
get_k1(void) const GridforceLiteGridinlinevirtual
get_k2(void) const GridforceLiteGridinlinevirtual
get_origin(void) const GridforceLiteGridinlinevirtual
get_scale(void) const GridforceLiteGridinlinevirtual
get_total_grids(void) const GridforceLiteGridinlinevirtual
gridGridforceLiteGridprotected
grid_index(int i0, int i1, int i2, int i3) const GridforceLiteGridinlineprotected
GridforceGrid()GridforceGridinlineprotected
GridforceGridType enum nameGridforceGrid
GridforceGridTypeFull enum valueGridforceGrid
GridforceGridTypeLite enum valueGridforceGrid
GridforceGridTypeUndefined enum valueGridforceGrid
GridforceLiteGrid(int gridnum)GridforceLiteGridexplicit
initialize(char *potfilename, SimParameters *simParams, MGridforceParams *mgridParams)GridforceLiteGridvirtual
invGridforceLiteGridprotected
kGridforceLiteGridprotected
linear_interpolate(int i0, int i1, int i2, int i3, const float *wts) const GridforceLiteGridinlineprotected
mygridnumGridforceGridprotected
new_grid(int gridnum, char *potfilename, SimParameters *simParams, MGridforceParams *mgridParams)GridforceGridstatic
originGridforceLiteGridprotected
pack(MOStream *msg) const GridforceLiteGridprotectedvirtual
pack_grid(GridforceGrid *grid, MOStream *msg)GridforceGridstatic
reinitialize(SimParameters *simParams, MGridforceParams *mgridParams)GridforceLiteGridvirtual
scaleGridforceLiteGridprotected
set_all_gridvals(float *all_gridvals, long int sz)GridforceLiteGridvirtual
set_grid(int i0, int i1, int i2, int i3, float V)GridforceLiteGridinline
set_scale(Vector s)GridforceLiteGridinlinevirtual
sizeGridforceLiteGridprotected
typeGridforceGridprotected
unpack(MIStream *msg)GridforceLiteGridprotectedvirtual
unpack_grid(int gridnum, MIStream *msg)GridforceGridstatic
wrap_position(const Position &pos, const Lattice &lattice)GridforceGridinline
~GridforceGrid()GridforceGridvirtual
~GridforceLiteGrid()GridforceLiteGridvirtual