GridforceFullBaseGrid Class Reference

#include <GridForceGrid.h>

Inheritance diagram for GridforceFullBaseGrid:

Classes
struct	GridIndices

Public Member Functions
	GridforceFullBaseGrid (void)
virtual	~GridforceFullBaseGrid ()
Position	get_center (void) const
Position	get_origin (void) const
Tensor	get_e (void) const
Tensor	get_inv (void) const
Vector	get_scale (void) const
Bool	get_checksize (void) const
virtual int	get_border (void) const =0
float	get_grid (int i0, int i1, int i2) const
double	get_grid_d (int i0, int i1, int i2) const
void	set_grid (int i0, int i1, int i2, float V)
void	set_scale (Vector s)
int	compute_VdV (Position pos, float &V, Vector &dV) const
int	get_k0 (void) const
int	get_k1 (void) const
int	get_k2 (void) const

Protected Member Functions
virtual void	pack (MOStream *msg) const
virtual void	unpack (MIStream *msg)
void	readHeader (SimParameters *simParams, MGridforceParams *mgridParams)
long int	grid_index (int i0, int i1, int i2) const
int	get_inds (Position pos, int *inds, Vector &dg, Vector &gapscale) const
void	compute_a (float *a, float *b) const
virtual void	compute_b (float *b, int *inds, Vector gapscale) const =0
float	compute_V (float *a, float *x, float *y, float *z) const
Vector	compute_dV (float *a, float *x, float *y, float *z) const
Vector	compute_d2V (float *a, float *x, float *y, float *z) const
float	compute_d3V (float *a, float *x, float *y, float *z) const
void	readSubgridHierarchy (FILE *poten, int &totalGrids)

Protected Attributes
FILE *	poten_fp
float *	grid
GridforceFullSubGrid **	subgrids
int	numSubgrids
int	generation
int	k [3]
int	k_nopad [3]
long int	size
long int	size_nopad
long int	dk [3]
long int	dk_nopad [3]
float	factor
Position	origin
Position	center
Tensor	e
Tensor	inv
double	p_sum [3]
double	n_sum [3]
double	pad_p [3]
double	pad_n [3]
Bool	cont [3]
float	offset [3]
float	gap [3]
float	gapinv [3]
Vector	scale
Bool	checksize

Friends
class	GridforceFullMainGrid
class	GridforceFullSubGrid

Detailed Description

Definition at line 82 of file GridForceGrid.h.

Constructor & Destructor Documentation

GridforceFullBaseGrid::GridforceFullBaseGrid

(

void

)

Definition at line 137 of file GridForceGrid.C.

References cont, FALSE, grid, numSubgrids, and subgrids.

{
    cont[0] = cont[1] = cont[2] = FALSE;
    grid = NULL;
    numSubgrids = 0;
    subgrids = NULL;
}

GridforceFullBaseGrid::~GridforceFullBaseGrid ( )

virtual

Definition at line 145 of file GridForceGrid.C.

References grid, numSubgrids, and subgrids.

{
    delete[] grid;
    for (int i = 0; i < numSubgrids; i++) {
        delete subgrids[i];
    }
    delete[] subgrids;
}

Member Function Documentation

void GridforceFullBaseGrid::compute_a ( float *  a, float *  b  ) const

inlineprotected

Definition at line 228 of file GridForceGrid.inl.

Referenced by GridforceFullSubGrid::compute_b(), and compute_VdV().

{
    // Static sparse 64x64 matrix times vector ... nicer looking way than this?
    a[0] = b[0];
    a[1] = b[8];
    a[2] = -3*b[0] + 3*b[1] - 2*b[8] - b[9];
    a[3] = 2*b[0] - 2*b[1] + b[8] + b[9];
    a[4] = b[16];
    a[5] = b[32];
    a[6] = -3*b[16] + 3*b[17] - 2*b[32] - b[33];
    a[7] = 2*b[16] - 2*b[17] + b[32] + b[33];
    a[8] = -3*b[0] + 3*b[2] - 2*b[16] - b[18];
    a[9] = -3*b[8] + 3*b[10] - 2*b[32] - b[34];
    a[10] = 9*b[0] - 9*b[1] - 9*b[2] + 9*b[3] + 6*b[8] + 3*b[9] - 6*b[10] - 3*b[11]
        + 6*b[16] - 6*b[17] + 3*b[18] - 3*b[19] + 4*b[32] + 2*b[33] + 2*b[34] + b[35];
    a[11] = -6*b[0] + 6*b[1] + 6*b[2] - 6*b[3] - 3*b[8] - 3*b[9] + 3*b[10] + 3*b[11]
        - 4*b[16] + 4*b[17] - 2*b[18] + 2*b[19] - 2*b[32] - 2*b[33] - b[34] - b[35];
    a[12] = 2*b[0] - 2*b[2] + b[16] + b[18];
    a[13] = 2*b[8] - 2*b[10] + b[32] + b[34];
    a[14] = -6*b[0] + 6*b[1] + 6*b[2] - 6*b[3] - 4*b[8] - 2*b[9] + 4*b[10] + 2*b[11]
        - 3*b[16] + 3*b[17] - 3*b[18] + 3*b[19] - 2*b[32] - b[33] - 2*b[34] - b[35];
    a[15] = 4*b[0] - 4*b[1] - 4*b[2] + 4*b[3] + 2*b[8] + 2*b[9] - 2*b[10] - 2*b[11]
        + 2*b[16] - 2*b[17] + 2*b[18] - 2*b[19] + b[32] + b[33] + b[34] + b[35];
    a[16] = b[24];
    a[17] = b[40];
    a[18] = -3*b[24] + 3*b[25] - 2*b[40] - b[41];
    a[19] = 2*b[24] - 2*b[25] + b[40] + b[41];
    a[20] = b[48];
    a[21] = b[56];
    a[22] = -3*b[48] + 3*b[49] - 2*b[56] - b[57];
    a[23] = 2*b[48] - 2*b[49] + b[56] + b[57];
    a[24] = -3*b[24] + 3*b[26] - 2*b[48] - b[50];
    a[25] = -3*b[40] + 3*b[42] - 2*b[56] - b[58];
    a[26] = 9*b[24] - 9*b[25] - 9*b[26] + 9*b[27] + 6*b[40] + 3*b[41] - 6*b[42] - 3*b[43]
        + 6*b[48] - 6*b[49] + 3*b[50] - 3*b[51] + 4*b[56] + 2*b[57] + 2*b[58] + b[59];
    a[27] = -6*b[24] + 6*b[25] + 6*b[26] - 6*b[27] - 3*b[40] - 3*b[41] + 3*b[42] + 3*b[43]
        - 4*b[48] + 4*b[49] - 2*b[50] + 2*b[51] - 2*b[56] - 2*b[57] - b[58] - b[59];
    a[28] = 2*b[24] - 2*b[26] + b[48] + b[50];
    a[29] = 2*b[40] - 2*b[42] + b[56] + b[58];
    a[30] = -6*b[24] + 6*b[25] + 6*b[26] - 6*b[27] - 4*b[40] - 2*b[41] + 4*b[42] + 2*b[43]
        - 3*b[48] + 3*b[49] - 3*b[50] + 3*b[51] - 2*b[56] - b[57] - 2*b[58] - b[59];
    a[31] = 4*b[24] - 4*b[25] - 4*b[26] + 4*b[27] + 2*b[40] + 2*b[41] - 2*b[42] - 2*b[43]
        + 2*b[48] - 2*b[49] + 2*b[50] - 2*b[51] + b[56] + b[57] + b[58] + b[59];
    a[32] = -3*b[0] + 3*b[4] - 2*b[24] - b[28];
    a[33] = -3*b[8] + 3*b[12] - 2*b[40] - b[44];
    a[34] = 9*b[0] - 9*b[1] - 9*b[4] + 9*b[5] + 6*b[8] + 3*b[9] - 6*b[12] - 3*b[13]
        + 6*b[24] - 6*b[25] + 3*b[28] - 3*b[29] + 4*b[40] + 2*b[41] + 2*b[44] + b[45];
    a[35] = -6*b[0] + 6*b[1] + 6*b[4] - 6*b[5] - 3*b[8] - 3*b[9] + 3*b[12] + 3*b[13]
        - 4*b[24] + 4*b[25] - 2*b[28] + 2*b[29] - 2*b[40] - 2*b[41] - b[44] - b[45];
    a[36] = -3*b[16] + 3*b[20] - 2*b[48] - b[52];
    a[37] = -3*b[32] + 3*b[36] - 2*b[56] - b[60];
    a[38] = 9*b[16] - 9*b[17] - 9*b[20] + 9*b[21] + 6*b[32] + 3*b[33] - 6*b[36] - 3*b[37]
        + 6*b[48] - 6*b[49] + 3*b[52] - 3*b[53] + 4*b[56] + 2*b[57] + 2*b[60] + b[61];
    a[39] = -6*b[16] + 6*b[17] + 6*b[20] - 6*b[21] - 3*b[32] - 3*b[33] + 3*b[36] + 3*b[37]
        - 4*b[48] + 4*b[49] - 2*b[52] + 2*b[53] - 2*b[56] - 2*b[57] - b[60] - b[61];
    a[40] = 9*b[0] - 9*b[2] - 9*b[4] + 9*b[6] + 6*b[16] + 3*b[18] - 6*b[20] - 3*b[22]
        + 6*b[24] - 6*b[26] + 3*b[28] - 3*b[30] + 4*b[48] + 2*b[50] + 2*b[52] + b[54];
    a[41] = 9*b[8] - 9*b[10] - 9*b[12] + 9*b[14] + 6*b[32] + 3*b[34] - 6*b[36] - 3*b[38]
        + 6*b[40] - 6*b[42] + 3*b[44] - 3*b[46] + 4*b[56] + 2*b[58] + 2*b[60] + b[62];
    a[42] = -27*b[0] + 27*b[1] + 27*b[2] - 27*b[3] + 27*b[4] - 27*b[5] - 27*b[6] + 27*b[7]
        - 18*b[8] - 9*b[9] + 18*b[10] + 9*b[11] + 18*b[12] + 9*b[13] - 18*b[14] - 9*b[15]
        - 18*b[16] + 18*b[17] - 9*b[18] + 9*b[19] + 18*b[20] - 18*b[21] + 9*b[22] - 9*b[23]
        - 18*b[24] + 18*b[25] + 18*b[26] - 18*b[27] - 9*b[28] + 9*b[29] + 9*b[30] - 9*b[31]
        - 12*b[32] - 6*b[33] - 6*b[34] - 3*b[35] + 12*b[36] + 6*b[37] + 6*b[38] + 3*b[39]
        - 12*b[40] - 6*b[41] + 12*b[42] + 6*b[43] - 6*b[44] - 3*b[45] + 6*b[46] + 3*b[47]
        - 12*b[48] + 12*b[49] - 6*b[50] + 6*b[51] - 6*b[52] + 6*b[53] - 3*b[54] + 3*b[55]
        - 8*b[56] - 4*b[57] - 4*b[58] - 2*b[59] - 4*b[60] - 2*b[61] - 2*b[62] - b[63];
    a[43] = 18*b[0] - 18*b[1] - 18*b[2] + 18*b[3] - 18*b[4] + 18*b[5] + 18*b[6] - 18*b[7]
        + 9*b[8] + 9*b[9] - 9*b[10] - 9*b[11] - 9*b[12] - 9*b[13] + 9*b[14] + 9*b[15]
        + 12*b[16] - 12*b[17] + 6*b[18] - 6*b[19] - 12*b[20] + 12*b[21] - 6*b[22] + 6*b[23]
        + 12*b[24] - 12*b[25] - 12*b[26] + 12*b[27] + 6*b[28] - 6*b[29] - 6*b[30] + 6*b[31]
        + 6*b[32] + 6*b[33] + 3*b[34] + 3*b[35] - 6*b[36] - 6*b[37] - 3*b[38] - 3*b[39]
        + 6*b[40] + 6*b[41] - 6*b[42] - 6*b[43] + 3*b[44] + 3*b[45] - 3*b[46] - 3*b[47]
        + 8*b[48] - 8*b[49] + 4*b[50] - 4*b[51] + 4*b[52] - 4*b[53] + 2*b[54] - 2*b[55]
        + 4*b[56] + 4*b[57] + 2*b[58] + 2*b[59] + 2*b[60] + 2*b[61] + b[62] + b[63];
    a[44] = -6*b[0] + 6*b[2] + 6*b[4] - 6*b[6] - 3*b[16] - 3*b[18] + 3*b[20] + 3*b[22]
        - 4*b[24] + 4*b[26] - 2*b[28] + 2*b[30] - 2*b[48] - 2*b[50] - b[52] - b[54];
    a[45] = -6*b[8] + 6*b[10] + 6*b[12] - 6*b[14] - 3*b[32] - 3*b[34] + 3*b[36] + 3*b[38]
        - 4*b[40] + 4*b[42] - 2*b[44] + 2*b[46] - 2*b[56] - 2*b[58] - b[60] - b[62];
    a[46] = 18*b[0] - 18*b[1] - 18*b[2] + 18*b[3] - 18*b[4] + 18*b[5] + 18*b[6] - 18*b[7]
        + 12*b[8] + 6*b[9] - 12*b[10] - 6*b[11] - 12*b[12] - 6*b[13] + 12*b[14] + 6*b[15]
        + 9*b[16] - 9*b[17] + 9*b[18] - 9*b[19] - 9*b[20] + 9*b[21] - 9*b[22] + 9*b[23]
        + 12*b[24] - 12*b[25] - 12*b[26] + 12*b[27] + 6*b[28] - 6*b[29] - 6*b[30] + 6*b[31]
        + 6*b[32] + 3*b[33] + 6*b[34] + 3*b[35] - 6*b[36] - 3*b[37] - 6*b[38] - 3*b[39]
        + 8*b[40] + 4*b[41] - 8*b[42] - 4*b[43] + 4*b[44] + 2*b[45] - 4*b[46] - 2*b[47]
        + 6*b[48] - 6*b[49] + 6*b[50] - 6*b[51] + 3*b[52] - 3*b[53] + 3*b[54] - 3*b[55]
        + 4*b[56] + 2*b[57] + 4*b[58] + 2*b[59] + 2*b[60] + b[61] + 2*b[62] + b[63];
    a[47] = -12*b[0] + 12*b[1] + 12*b[2] - 12*b[3] + 12*b[4] - 12*b[5] - 12*b[6] + 12*b[7]
        - 6*b[8] - 6*b[9] + 6*b[10] + 6*b[11] + 6*b[12] + 6*b[13] - 6*b[14] - 6*b[15]
        - 6*b[16] + 6*b[17] - 6*b[18] + 6*b[19] + 6*b[20] - 6*b[21] + 6*b[22] - 6*b[23]
        - 8*b[24] + 8*b[25] + 8*b[26] - 8*b[27] - 4*b[28] + 4*b[29] + 4*b[30] - 4*b[31]
        - 3*b[32] - 3*b[33] - 3*b[34] - 3*b[35] + 3*b[36] + 3*b[37] + 3*b[38] + 3*b[39]
        - 4*b[40] - 4*b[41] + 4*b[42] + 4*b[43] - 2*b[44] - 2*b[45] + 2*b[46] + 2*b[47]
        - 4*b[48] + 4*b[49] - 4*b[50] + 4*b[51] - 2*b[52] + 2*b[53] - 2*b[54] + 2*b[55]
        - 2*b[56] - 2*b[57] - 2*b[58] - 2*b[59] - b[60] - b[61] - b[62] - b[63];
    a[48] = 2*b[0] - 2*b[4] + b[24] + b[28];
    a[49] = 2*b[8] - 2*b[12] + b[40] + b[44];
    a[50] = -6*b[0] + 6*b[1] + 6*b[4] - 6*b[5] - 4*b[8] - 2*b[9] + 4*b[12] + 2*b[13]
        - 3*b[24] + 3*b[25] - 3*b[28] + 3*b[29] - 2*b[40] - b[41] - 2*b[44] - b[45];
    a[51] = 4*b[0] - 4*b[1] - 4*b[4] + 4*b[5] + 2*b[8] + 2*b[9] - 2*b[12] - 2*b[13]
        + 2*b[24] - 2*b[25] + 2*b[28] - 2*b[29] + b[40] + b[41] + b[44] + b[45];
    a[52] = 2*b[16] - 2*b[20] + b[48] + b[52];
    a[53] = 2*b[32] - 2*b[36] + b[56] + b[60];
    a[54] = -6*b[16] + 6*b[17] + 6*b[20] - 6*b[21] - 4*b[32] - 2*b[33] + 4*b[36] + 2*b[37]
        - 3*b[48] + 3*b[49] - 3*b[52] + 3*b[53] - 2*b[56] - b[57] - 2*b[60] - b[61];
    a[55] = 4*b[16] - 4*b[17] - 4*b[20] + 4*b[21] + 2*b[32] + 2*b[33] - 2*b[36] - 2*b[37]
        + 2*b[48] - 2*b[49] + 2*b[52] - 2*b[53] + b[56] + b[57] + b[60] + b[61];
    a[56] = -6*b[0] + 6*b[2] + 6*b[4] - 6*b[6] - 4*b[16] - 2*b[18] + 4*b[20] + 2*b[22]
        - 3*b[24] + 3*b[26] - 3*b[28] + 3*b[30] - 2*b[48] - b[50] - 2*b[52] - b[54];
    a[57] = -6*b[8] + 6*b[10] + 6*b[12] - 6*b[14] - 4*b[32] - 2*b[34] + 4*b[36] + 2*b[38]
        - 3*b[40] + 3*b[42] - 3*b[44] + 3*b[46] - 2*b[56] - b[58] - 2*b[60] - b[62];
    a[58] = 18*b[0] - 18*b[1] - 18*b[2] + 18*b[3] - 18*b[4] + 18*b[5] + 18*b[6] - 18*b[7]
        + 12*b[8] + 6*b[9] - 12*b[10] - 6*b[11] - 12*b[12] - 6*b[13] + 12*b[14] + 6*b[15]
        + 12*b[16] - 12*b[17] + 6*b[18] - 6*b[19] - 12*b[20] + 12*b[21] - 6*b[22] + 6*b[23]
        + 9*b[24] - 9*b[25] - 9*b[26] + 9*b[27] + 9*b[28] - 9*b[29] - 9*b[30] + 9*b[31]
        + 8*b[32] + 4*b[33] + 4*b[34] + 2*b[35] - 8*b[36] - 4*b[37] - 4*b[38] - 2*b[39]
        + 6*b[40] + 3*b[41] - 6*b[42] - 3*b[43] + 6*b[44] + 3*b[45] - 6*b[46] - 3*b[47]
        + 6*b[48] - 6*b[49] + 3*b[50] - 3*b[51] + 6*b[52] - 6*b[53] + 3*b[54] - 3*b[55]
        + 4*b[56] + 2*b[57] + 2*b[58] + b[59] + 4*b[60] + 2*b[61] + 2*b[62] + b[63];
    a[59] = -12*b[0] + 12*b[1] + 12*b[2] - 12*b[3] + 12*b[4] - 12*b[5] - 12*b[6] + 12*b[7]
        - 6*b[8] - 6*b[9] + 6*b[10] + 6*b[11] + 6*b[12] + 6*b[13] - 6*b[14] - 6*b[15]
        - 8*b[16] + 8*b[17] - 4*b[18] + 4*b[19] + 8*b[20] - 8*b[21] + 4*b[22] - 4*b[23]
        - 6*b[24] + 6*b[25] + 6*b[26] - 6*b[27] - 6*b[28] + 6*b[29] + 6*b[30] - 6*b[31]
        - 4*b[32] - 4*b[33] - 2*b[34] - 2*b[35] + 4*b[36] + 4*b[37] + 2*b[38] + 2*b[39]
        - 3*b[40] - 3*b[41] + 3*b[42] + 3*b[43] - 3*b[44] - 3*b[45] + 3*b[46] + 3*b[47]
        - 4*b[48] + 4*b[49] - 2*b[50] + 2*b[51] - 4*b[52] + 4*b[53] - 2*b[54] + 2*b[55]
        - 2*b[56] - 2*b[57] - b[58] - b[59] - 2*b[60] - 2*b[61] - b[62] - b[63];
    a[60] = 4*b[0] - 4*b[2] - 4*b[4] + 4*b[6] + 2*b[16] + 2*b[18] - 2*b[20] - 2*b[22]
        + 2*b[24] - 2*b[26] + 2*b[28] - 2*b[30] + b[48] + b[50] + b[52] + b[54];
    a[61] = 4*b[8] - 4*b[10] - 4*b[12] + 4*b[14] + 2*b[32] + 2*b[34] - 2*b[36] - 2*b[38]
        + 2*b[40] - 2*b[42] + 2*b[44] - 2*b[46] + b[56] + b[58] + b[60] + b[62];
    a[62] = -12*b[0] + 12*b[1] + 12*b[2] - 12*b[3] + 12*b[4] - 12*b[5] - 12*b[6] + 12*b[7]
        - 8*b[8] - 4*b[9] + 8*b[10] + 4*b[11] + 8*b[12] + 4*b[13] - 8*b[14] - 4*b[15]
        - 6*b[16] + 6*b[17] - 6*b[18] + 6*b[19] + 6*b[20] - 6*b[21] + 6*b[22] - 6*b[23]
        - 6*b[24] + 6*b[25] + 6*b[26] - 6*b[27] - 6*b[28] + 6*b[29] + 6*b[30] - 6*b[31]
        - 4*b[32] - 2*b[33] - 4*b[34] - 2*b[35] + 4*b[36] + 2*b[37] + 4*b[38] + 2*b[39]
        - 4*b[40] - 2*b[41] + 4*b[42] + 2*b[43] - 4*b[44] - 2*b[45] + 4*b[46] + 2*b[47]
        - 3*b[48] + 3*b[49] - 3*b[50] + 3*b[51] - 3*b[52] + 3*b[53] - 3*b[54] + 3*b[55]
        - 2*b[56] - b[57] - 2*b[58] - b[59] - 2*b[60] - b[61] - 2*b[62] - b[63];
    a[63] = 8*b[0] - 8*b[1] - 8*b[2] + 8*b[3] - 8*b[4] + 8*b[5] + 8*b[6] - 8*b[7]
        + 4*b[8] + 4*b[9] - 4*b[10] - 4*b[11] - 4*b[12] - 4*b[13] + 4*b[14] + 4*b[15]
        + 4*b[16] - 4*b[17] + 4*b[18] - 4*b[19] - 4*b[20] + 4*b[21] - 4*b[22] + 4*b[23]
        + 4*b[24] - 4*b[25] - 4*b[26] + 4*b[27] + 4*b[28] - 4*b[29] - 4*b[30] + 4*b[31]
        + 2*b[32] + 2*b[33] + 2*b[34] + 2*b[35] - 2*b[36] - 2*b[37] - 2*b[38] - 2*b[39]
        + 2*b[40] + 2*b[41] - 2*b[42] - 2*b[43] + 2*b[44] + 2*b[45] - 2*b[46] - 2*b[47]
        + 2*b[48] - 2*b[49] + 2*b[50] - 2*b[51] + 2*b[52] - 2*b[53] + 2*b[54] - 2*b[55]
        + b[56] + b[57] + b[58] + b[59] + b[60] + b[61] + b[62] + b[63];
}

virtual void GridforceFullBaseGrid::compute_b ( float *  b, int *  inds, Vector  gapscale  ) const

protectedpure virtual

Implemented in GridforceFullSubGrid, and GridforceFullMainGrid.

Referenced by GridforceFullSubGrid::compute_b(), and compute_VdV().

Vector GridforceFullBaseGrid::compute_d2V ( float *  a, float *  x, float *  y, float *  z  ) const

inlineprotected

Definition at line 194 of file GridForceGrid.inl.

References k, Vector::x, Vector::y, and Vector::z.

Referenced by GridforceFullSubGrid::compute_b().

{
    Vector d2V = 0;
    int ind = 0;
    for (int l = 0; l < 4; l++) {
        for (int k = 0; k < 4; k++) {
            for (int j = 0; j < 4; j++) {
                if (j > 0 && k > 0) d2V.x += a[ind] * j * k * x[j-1] * y[k-1] * z[l];   // d2V/dxdy
                if (j > 0 && l > 0) d2V.y += a[ind] * j * l * x[j-1] * y[k]   * z[l-1]; // d2V/dxdz
                if (k > 0 && l > 0) d2V.z += a[ind] * k * l * x[j]   * y[k-1] * z[l-1]; // d2V/dydz
                ind++;
            }
        }
    }
    return d2V;
}

float GridforceFullBaseGrid::compute_d3V ( float *  a, float *  x, float *  y, float *  z  ) const

inlineprotected

Definition at line 212 of file GridForceGrid.inl.

References k.

Referenced by GridforceFullSubGrid::compute_b().

{
    float d3V = 0.0;
    long int ind = 0;
    for (int l = 0; l < 4; l++) {
        for (int k = 0; k < 4; k++) {
            for (int j = 0; j < 4; j++) {
                if (j > 0 && k > 0 && l > 0) d3V += a[ind] * j * k * l * x[j-1] * y[k-1] * z[l-1];      // d3V/dxdydz
                ind++;
            }
        }
    }
    return d3V;
}

Vector GridforceFullBaseGrid::compute_dV ( float *  a, float *  x, float *  y, float *  z  ) const

inlineprotected

Definition at line 176 of file GridForceGrid.inl.

References k, Vector::x, Vector::y, and Vector::z.

Referenced by GridforceFullSubGrid::compute_b(), and compute_VdV().

{
    Vector dV = 0;
    long int ind = 0;
    for (int l = 0; l < 4; l++) {
        for (int k = 0; k < 4; k++) {
            for (int j = 0; j < 4; j++) {
                if (j > 0) dV.x += a[ind] * j * x[j-1] * y[k]   * z[l];         // dV/dx
                if (k > 0) dV.y += a[ind] * k * x[j]   * y[k-1] * z[l];         // dV/dy
                if (l > 0) dV.z += a[ind] * l * x[j]   * y[k]   * z[l-1];       // dV/dz
                ind++;
            }
        }
    }
    return dV;
}

float GridforceFullBaseGrid::compute_V ( float *  a, float *  x, float *  y, float *  z  ) const

inlineprotected

Definition at line 160 of file GridForceGrid.inl.

References k.

Referenced by GridforceFullSubGrid::compute_b(), and compute_VdV().

{
    float V = 0.0;
    long int ind = 0;
    for (int l = 0; l < 4; l++) {
        for (int k = 0; k < 4; k++) {
            for (int j = 0; j < 4; j++) {
                V += a[ind] * x[j] * y[k] * z[l];
                ind++;
            }
        }
    }
    return V;
}

int GridforceFullBaseGrid::compute_VdV ( Position  pos, float &  V, Vector &  dV  ) const

inline

Definition at line 12 of file GridForceGrid.inl.

References compute_a(), compute_b(), compute_dV(), compute_V(), compute_VdV(), cont, DebugM, Tensor::diagonal(), endi(), generation, get_inds(), inv, numSubgrids, subgrids, Vector::x, x, Vector::y, y, Vector::z, and z.

Referenced by compute_VdV(), and GridforceFullMainGrid::compute_VdV().

{
    //SimParameters *simParams = Node::Object()->simParameters;
    int inds[3];
    Vector g, dg;
    Vector gapscale = Vector(1, 1, 1);
    
    int err = get_inds(pos, inds, dg, gapscale);
    if (err) {
        return -1;
    }
    
    DebugM(1, "gapscale = " << gapscale << "\n");
    DebugM(1, "dg = " << dg << "\n");
    DebugM(1, "ind + dg = " << inds[0]+dg[0] << " " << inds[1]+dg[1] << " " << inds[2]+dg[2] << "\n");
    DebugM(3, "compute_VdV: generation = " << generation << "\n" << endi);
    
    // Pass to subgrid if one exists here
    for (int i = 0; i < numSubgrids; i++) {
        if (((inds[0] >= subgrids[i]->pmin[0] && inds[0] <= subgrids[i]->pmax[0]) || subgrids[i]->cont[0]) &&
            ((inds[1] >= subgrids[i]->pmin[1] && inds[1] <= subgrids[i]->pmax[1]) || subgrids[i]->cont[1]) &&
            ((inds[2] >= subgrids[i]->pmin[2] && inds[2] <= subgrids[i]->pmax[2]) || subgrids[i]->cont[2]))
        {
            return subgrids[i]->compute_VdV(pos, V, dV);
        }
    }
    
    // Compute b
    float b[64];        // Matrix of values at 8 box corners
    compute_b(b, inds, gapscale);
    for (int j = 0; j < 64; j++) DebugM(1, "b[" << j << "] = " << b[j] << "\n" << endi);
    
    // Compute a
    float a[64];
    compute_a(a, b);
    for (int j = 0; j < 64; j++) DebugM(1, "a[" << j << "] = " << a[j] << "\n" << endi);
            
    // Calculate powers of x, y, z for later use
    // e.g. x[2] = x^2
    float x[4], y[4], z[4];
    x[0] = 1; y[0] = 1; z[0] = 1;
    for (int j = 1; j < 4; j++) {
        x[j] = x[j-1] * dg.x;
        y[j] = y[j-1] * dg.y;
        z[j] = z[j-1] * dg.z;
    }
    
    V = compute_V(a, x, y, z);
    dV = Tensor::diagonal(gapscale) * (compute_dV(a, x, y, z) * inv);
    
    return 0;
}

virtual int GridforceFullBaseGrid::get_border ( void  ) const

pure virtual

Implemented in GridforceFullSubGrid, and GridforceFullMainGrid.

Referenced by GridforceFullSubGrid::initialize().

Position GridforceFullBaseGrid::get_center ( void  ) const

inline

Definition at line 93 of file GridForceGrid.h.

References center.

Referenced by GridforceFullMainGrid::get_center().

{ return center; }

Bool GridforceFullBaseGrid::get_checksize ( void  ) const

inline

Definition at line 98 of file GridForceGrid.h.

References checksize.

Referenced by GridforceFullMainGrid::get_checksize().

{ return checksize; }

Tensor GridforceFullBaseGrid::get_e ( void  ) const

inline

Definition at line 95 of file GridForceGrid.h.

References e.

Referenced by GridforceFullMainGrid::get_e().

{ return e; }

float GridforceFullBaseGrid::get_grid ( int  i0, int  i1, int  i2  ) const

inline

Definition at line 101 of file GridForceGrid.h.

References grid, and grid_index().

Referenced by GridforceFullMainGrid::compute_b(), GridforceFullSubGrid::compute_b(), get_grid_d(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), and GridforceLiteGrid::initialize().

                                                        {
        return grid[grid_index(i0, i1, i2)];
    }

double GridforceFullBaseGrid::get_grid_d ( int  i0, int  i1, int  i2  ) const

inline

Definition at line 104 of file GridForceGrid.h.

References get_grid().

Referenced by GridforceFullMainGrid::compute_b(), and GridforceFullSubGrid::compute_b().

                                                           {
        return double(get_grid(i0, i1, i2));
    }

int GridforceFullBaseGrid::get_inds ( Position  pos, int *  inds, Vector &  dg, Vector &  gapscale  ) const

inlineprotected

Definition at line 131 of file GridForceGrid.inl.

References cont, gapinv, inv, k, and origin.

Referenced by compute_VdV().

{
    Vector p = pos - origin;
    Vector g;
    
    g = inv * p;
    
    for (int i = 0; i < 3; i++) {
        inds[i] = (int)floor(g[i]);
        dg[i] = g[i] - inds[i];
    }
    
    for (int i = 0; i < 3; i++) {
        if (inds[i] < 0 || inds[i] >= k[i]-1) {
            if (cont[i]) inds[i] = k[i]-1;
            else return -1;     // Outside potential and grid is not continuous
        }
        if (cont[i] && inds[i] == k[i]-1) {
            // Correct for non-unit spacing between continuous grid images
            gapscale[i] *= gapinv[i];
            if (g[i] < 0.0) dg[i] = 1.0 + g[i]*gapinv[i]; // = (gap[i] + g[i]) * gapinv[i]
            else dg[i] = (g[i] - inds[i]) * gapinv[i];
        }
    }
    
    return 0;
}

Tensor GridforceFullBaseGrid::get_inv ( void  ) const

inline

Definition at line 96 of file GridForceGrid.h.

References inv.

Referenced by GridforceFullMainGrid::get_inv().

{ return inv; }

int GridforceFullBaseGrid::get_k0 ( void  ) const

inline

Definition at line 115 of file GridForceGrid.h.

References k.

Referenced by GridforceFullMainGrid::get_k0().

{ return k[0]; }

int GridforceFullBaseGrid::get_k1 ( void  ) const

inline

Definition at line 116 of file GridForceGrid.h.

References k.

Referenced by GridforceFullMainGrid::get_k1().

{ return k[1]; }

int GridforceFullBaseGrid::get_k2 ( void  ) const

inline

Definition at line 117 of file GridForceGrid.h.

References k.

Referenced by GridforceFullMainGrid::get_k2().

{ return k[2]; }

Position GridforceFullBaseGrid::get_origin ( void  ) const

inline

Definition at line 94 of file GridForceGrid.h.

References origin.

Referenced by GridforceFullMainGrid::get_origin().

{ return origin; }

Vector GridforceFullBaseGrid::get_scale ( void  ) const

inline

Definition at line 97 of file GridForceGrid.h.

References scale.

Referenced by GridforceFullMainGrid::get_scale().

{ return scale; }

long int GridforceFullBaseGrid::grid_index ( int  i0, int  i1, int  i2  ) const

inlineprotected

Definition at line 133 of file GridForceGrid.h.

References dk, k, and NAMD_bug().

Referenced by get_grid(), and set_grid().

                                                             {
        register int inds[3] = {i0, i1, i2};
#ifdef DEBUGM
        if (i0 < 0 || i0 >= k[0] || i1 < 0 || i1 >= k[1] || i2 < 0 || i2 >= k[2]) {
            char buffer[256];
            sprintf(buffer, "Bad grid index! (%d %d %d)", i0, i1, i2);
            NAMD_bug(buffer);
        }
#endif
        return inds[0]*dk[0] + inds[1]*dk[1] + inds[2]*dk[2];
    }

void GridforceFullBaseGrid::pack ( MOStream *  msg ) const

protectedvirtual

Reimplemented in GridforceFullSubGrid, and GridforceFullMainGrid.

Definition at line 155 of file GridForceGrid.C.

References center, checksize, cont, DebugM, dk, dk_nopad, e, endi(), factor, gap, gapinv, generation, grid, inv, k, k_nopad, numSubgrids, offset, origin, GridforceFullSubGrid::pack(), MOStream::put(), scale, size, size_nopad, and subgrids.

Referenced by GridforceFullMainGrid::pack(), and GridforceFullSubGrid::pack().

{
    DebugM(2, "Packing message\n" << endi);
    
    msg->put(numSubgrids);
    msg->put(generation);
    
    msg->put(3*sizeof(int), (char*)k);
    msg->put(3*sizeof(int), (char*)k_nopad);
    msg->put(size);
    msg->put(size_nopad);
    msg->put(3*sizeof(long int), (char*)dk);
    msg->put(3*sizeof(long int), (char*)dk_nopad);
    msg->put(factor);
    
    msg->put(sizeof(Vector), (char*)&origin);
    msg->put(sizeof(Vector), (char*)&center);
    msg->put(sizeof(Tensor), (char*)&e);
    msg->put(sizeof(Tensor), (char*)&inv);
             
//    msg->put(3*sizeof(float), (char*)pad_p);
//    msg->put(3*sizeof(float), (char*)pad_n);
    msg->put(3*sizeof(Bool), (char*)cont);
    msg->put(3*sizeof(float), (char*)offset);
    msg->put(3*sizeof(float), (char*)gap);
    msg->put(3*sizeof(float), (char*)gapinv);
    msg->put(sizeof(Vector), (char*)&scale);
    msg->put(sizeof(Bool), (char*)&checksize);
    
    DebugM(2, "Packing grid, size = " << size << "\n" << endi);
    
    msg->put(size*sizeof(float), (char*)grid);
    
    DebugM(2, "Packing subgrids\n" << endi);
    
    for (int i = 0; i < numSubgrids; i++) {
        subgrids[i]->pack(msg);
    }
}

void GridforceFullBaseGrid::readHeader ( SimParameters *  simParams, MGridforceParams *  mgridParams  )

protected

Definition at line 256 of file GridForceGrid.C.

References center, DebugM, e, endi(), inv, k_nopad, origin, poten_fp, size_nopad, Vector::x, Tensor::xx, Tensor::xy, Tensor::xz, Vector::y, Tensor::yx, Tensor::yy, Tensor::yz, Vector::z, Tensor::zx, Tensor::zy, and Tensor::zz.

Referenced by GridforceFullMainGrid::initialize(), and GridforceFullSubGrid::initialize().

{
  char line[256];
  long int poten_offset;
  do {
      poten_offset = ftell(poten_fp);
      fgets(line, 256, poten_fp);       // Read comment lines
      DebugM(4, "Read line: " << line << endi);
  } while (line[0] == '#');
  fseek(poten_fp, poten_offset, SEEK_SET);
  
  // read grid dimensions
  fscanf(poten_fp, "object %*d class gridpositions counts %d %d %d\n",
         &k_nopad[0], &k_nopad[1], &k_nopad[2]);
  size_nopad = k_nopad[0] * k_nopad[1] * k_nopad[2];
  
  // Read origin
  fscanf(poten_fp, "origin %lf %lf %lf\n",
         &origin.x, &origin.y, &origin.z);
        
  // Read delta (unit vectors)
  // These are column vectors, so must fill gridfrcE tensor to reflect this
  fscanf(poten_fp, "delta %lf %lf %lf\n", &e.xx, &e.yx, &e.zx);
  fscanf(poten_fp, "delta %lf %lf %lf\n", &e.xy, &e.yy, &e.zy);
  fscanf(poten_fp, "delta %lf %lf %lf\n", &e.xz, &e.yz, &e.zz);
  
  center = origin + e * 0.5 
           * Position(k_nopad[0]-1, k_nopad[1]-1, k_nopad[2]-1);
  
  fscanf(poten_fp, "object %*d class gridconnections counts %*lf %*lf %*lf\n");
  fscanf(poten_fp, "object %*d class array type double rank 0 items %*d data follows\n");
    
  // Calculate inverse tensor
  BigReal det;
  det = e.xx*(e.yy*e.zz - e.yz*e.zy) - e.xy*(e.yx*e.zz - e.yz*e.zx) 
        + e.xz*(e.yx*e.zy - e.yy*e.zx);
  inv.xx =  (e.yy*e.zz - e.yz*e.zy)/det;
  inv.xy = -(e.xy*e.zz - e.xz*e.zy)/det;
  inv.xz =  (e.xy*e.yz - e.xz*e.yy)/det;
  inv.yx = -(e.yx*e.zz - e.yz*e.zx)/det;
  inv.yy =  (e.xx*e.zz - e.xz*e.zx)/det;
  inv.yz = -(e.xx*e.yz - e.xz*e.yx)/det;
  inv.zx =  (e.yx*e.zy - e.yy*e.zx)/det;
  inv.zy = -(e.xx*e.zy - e.xy*e.zx)/det;
  inv.zz =  (e.xx*e.yy - e.xy*e.yx)/det;
  
  DebugM(4, "origin = " << origin << "\n");
  DebugM(4, "e = " << e << "\n");
  DebugM(4, "inv = " << inv << "\n" << endi);
}

void GridforceFullBaseGrid::readSubgridHierarchy ( FILE *  poten, int &  totalGrids  )

protected

Definition at line 307 of file GridForceGrid.C.

References DebugM, endi(), generation, GridforceFullSubGrid, NAMD_die(), numSubgrids, poten_fp, readSubgridHierarchy(), and subgrids.

Referenced by GridforceFullMainGrid::initialize(), and readSubgridHierarchy().

{
    DebugM(4, "Beginning of readSubgridHierarchy, generation = " << generation << ", totalGrids = " << totalGrids << "\n" << endi);
    
    int elems, generation_in;
    
    subgrids = new GridforceFullSubGrid *[numSubgrids];
    
    for (int i = 0; i < numSubgrids; i++) {
        subgrids[i] = new GridforceFullSubGrid(this);
        elems = fscanf(poten_fp, "# namdnugrid subgrid %d generation %d min %d %d %d max %d %d %d subgrids count %d\n",
               &subgrids[i]->subgridIdx, &generation_in,
               &subgrids[i]->pmin[0], &subgrids[i]->pmin[1], &subgrids[i]->pmin[2],
               &subgrids[i]->pmax[0], &subgrids[i]->pmax[1], &subgrids[i]->pmax[2],
               &subgrids[i]->numSubgrids);
        if (elems < 9) {
            char msg[256];
            sprintf(msg, "Problem reading Gridforce potential file! (%d < 9)", elems);
            NAMD_die(msg);
        }
        
        totalGrids++;
        
        if (subgrids[i]->subgridIdx != (totalGrids - 1)) {
            char msg[256];
            sprintf(msg, "Problem reading Gridforce potential file! (%d != %d)", subgrids[i]->subgridIdx, totalGrids - 1);
            NAMD_die(msg);
        }
        if (subgrids[i]->generation != generation_in) {
            char msg[256];
            sprintf(msg, "Problem reading Gridforce potential file! (%d != %d)", subgrids[i]->generation, generation_in);
            NAMD_die(msg);
        }
        
//      DebugM(3, "setting maingrid\n");
//      subgrids[i]->maingrid->subgrids_flat[subgrids[i]->subgridIdx] = subgrids[i];
//      DebugM(3, "reading subgrid hierarchy\n");
        
        subgrids[i]->readSubgridHierarchy(poten, totalGrids);
    }
}

void GridforceFullBaseGrid::set_grid ( int  i0, int  i1, int  i2, float  V  )

inline

Definition at line 107 of file GridForceGrid.h.

References grid, and grid_index().

Referenced by GridforceFullMainGrid::initialize(), and GridforceFullSubGrid::initialize().

                                                          {
        grid[grid_index(i0, i1, i2)] = V;
    }

void GridforceFullBaseGrid::set_scale ( Vector  s )

inline

Definition at line 111 of file GridForceGrid.h.

References scale.

{ scale = s; }

void GridforceFullBaseGrid::unpack ( MIStream *  msg )

protectedvirtual

Reimplemented in GridforceFullSubGrid, and GridforceFullMainGrid.

Definition at line 195 of file GridForceGrid.C.

References center, checksize, cont, DebugM, dk, dk_nopad, e, endi(), factor, gap, gapinv, generation, MIStream::get(), grid, GridforceFullSubGrid, inv, k, k_nopad, numSubgrids, offset, origin, scale, size, size_nopad, subgrids, and GridforceFullSubGrid::unpack().

Referenced by GridforceFullMainGrid::unpack(), and GridforceFullSubGrid::unpack().

{
    DebugM(3, "Unpacking message\n" << endi);
//    iout << iINFO << CkMyPe() << " Unpacking message\n" << endi;

    delete[] grid;
    grid = NULL;
    for (int i = 0; i < numSubgrids; i++) {
        delete subgrids[i];
    }
    numSubgrids = 0;
    delete[] subgrids;
    subgrids = NULL;
    
    msg->get(numSubgrids);
    msg->get(generation);
    
    DebugM(3, "numSubgrids = " << numSubgrids << "\n");
    DebugM(3, "generation = " << generation << "\n" << endi);
    
    msg->get(3*sizeof(int), (char*)k);
    msg->get(3*sizeof(int), (char*)k_nopad);
    msg->get(size);
    msg->get(size_nopad);
    msg->get(3*sizeof(long int), (char*)dk);
    msg->get(3*sizeof(long int), (char*)dk_nopad);
    msg->get(factor);
    
    DebugM(3, "size = " << size << "\n" << endi);
    
    msg->get(sizeof(Vector), (char*)&origin);
    msg->get(sizeof(Vector), (char*)&center);
    msg->get(sizeof(Tensor), (char*)&e);
    msg->get(sizeof(Tensor), (char*)&inv);
             
//    msg->get(3*sizeof(float), (char*)pad_p);
//    msg->get(3*sizeof(float), (char*)pad_n);
    msg->get(3*sizeof(Bool), (char*)cont);
    msg->get(3*sizeof(float), (char*)offset);
    msg->get(3*sizeof(float), (char*)gap);
    msg->get(3*sizeof(float), (char*)gapinv);
    msg->get(sizeof(Vector), (char*)&scale);
    msg->get(sizeof(Bool), (char*)&checksize);
    
    if (size) {
        DebugM(3, "allocating grid, size = " << size << "\n" << endi);
        grid = new float[size];
        msg->get(size*sizeof(float), (char*)grid);
    }
    
    if (numSubgrids) {
        DebugM(3, "Creating subgrids array, size " << numSubgrids << "\n" << endi);
        subgrids = new GridforceFullSubGrid *[numSubgrids];
        for (int i = 0; i < numSubgrids; i++) {
            subgrids[i] = new GridforceFullSubGrid(this);
            subgrids[i]->unpack(msg);
        }
    }
}

Friends And Related Function Documentation

friend class GridforceFullMainGrid

friend

Definition at line 83 of file GridForceGrid.h.

friend class GridforceFullSubGrid

friend

Definition at line 84 of file GridForceGrid.h.

Referenced by readSubgridHierarchy(), and unpack().

Member Data Documentation

Position GridforceFullBaseGrid::center

protected

Definition at line 173 of file GridForceGrid.h.

Referenced by get_center(), GridforceFullSubGrid::initialize(), pack(), readHeader(), and unpack().

Bool GridforceFullBaseGrid::checksize

protected

Definition at line 187 of file GridForceGrid.h.

Referenced by get_checksize(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), and unpack().

Bool GridforceFullBaseGrid::cont[3]

protected

Definition at line 181 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::compute_b(), GridforceFullSubGrid::compute_b(), compute_VdV(), get_inds(), GridforceFullBaseGrid(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), and unpack().

long int GridforceFullBaseGrid::dk[3]

protected

Definition at line 168 of file GridForceGrid.h.

Referenced by grid_index(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), and unpack().

long int GridforceFullBaseGrid::dk_nopad[3]

protected

Definition at line 169 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::initialize(), pack(), and unpack().

Tensor GridforceFullBaseGrid::e

protected

Definition at line 174 of file GridForceGrid.h.

Referenced by GridforceFullSubGrid::compute_b(), get_e(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), readHeader(), and unpack().

float GridforceFullBaseGrid::factor

protected

Definition at line 170 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), and unpack().

float GridforceFullBaseGrid::gap[3]

protected

Definition at line 183 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::compute_b(), GridforceFullSubGrid::compute_b(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), and unpack().

float GridforceFullBaseGrid::gapinv[3]

protected

Definition at line 184 of file GridForceGrid.h.

Referenced by get_inds(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), unpack(), GridforceFullMainGrid::unpack(), and GridforceFullSubGrid::unpack().

int GridforceFullBaseGrid::generation

protected

Definition at line 161 of file GridForceGrid.h.

Referenced by compute_VdV(), GridforceFullMainGrid::GridforceFullMainGrid(), GridforceFullSubGrid::GridforceFullSubGrid(), GridforceFullSubGrid::initialize(), pack(), readSubgridHierarchy(), unpack(), GridforceFullMainGrid::unpack(), and GridforceFullSubGrid::unpack().

float* GridforceFullBaseGrid::grid

protected

Definition at line 157 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::get_all_gridvals(), get_grid(), GridforceFullBaseGrid(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), GridforceFullMainGrid::set_all_gridvals(), set_grid(), unpack(), and ~GridforceFullBaseGrid().

Tensor GridforceFullBaseGrid::inv

protected

Definition at line 175 of file GridForceGrid.h.

Referenced by GridforceFullSubGrid::compute_b(), compute_VdV(), get_inds(), get_inv(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), readHeader(), and unpack().

int GridforceFullBaseGrid::k[3]

protected

Definition at line 164 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::compute_b(), GridforceFullSubGrid::compute_b(), compute_d2V(), compute_d3V(), compute_dV(), compute_V(), get_inds(), get_k0(), get_k1(), get_k2(), grid_index(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), and unpack().

int GridforceFullBaseGrid::k_nopad[3]

protected

Definition at line 165 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), readHeader(), and unpack().

double GridforceFullBaseGrid::n_sum[3]

protected

Definition at line 178 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::initialize().

int GridforceFullBaseGrid::numSubgrids

protected

Definition at line 160 of file GridForceGrid.h.

Referenced by GridforceFullSubGrid::addToSubgridsFlat(), GridforceFullMainGrid::buildSubgridsFlat(), compute_VdV(), GridforceFullBaseGrid(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), readSubgridHierarchy(), unpack(), GridforceFullMainGrid::unpack(), GridforceFullSubGrid::unpack(), and ~GridforceFullBaseGrid().

float GridforceFullBaseGrid::offset[3]

protected

Definition at line 182 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::compute_b(), GridforceFullSubGrid::compute_b(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), and unpack().

Position GridforceFullBaseGrid::origin

protected

Definition at line 172 of file GridForceGrid.h.

Referenced by GridforceFullSubGrid::compute_b(), get_inds(), get_origin(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), readHeader(), and unpack().

double GridforceFullBaseGrid::p_sum[3]

protected

Definition at line 177 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::initialize().

double GridforceFullBaseGrid::pad_n[3]

protected

Definition at line 180 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::initialize().

double GridforceFullBaseGrid::pad_p[3]

protected

Definition at line 179 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::initialize().

FILE* GridforceFullBaseGrid::poten_fp

protected

Definition at line 156 of file GridForceGrid.h.

Referenced by GridforceFullSubGrid::GridforceFullSubGrid(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), readHeader(), and readSubgridHierarchy().

Vector GridforceFullBaseGrid::scale

protected

Definition at line 186 of file GridForceGrid.h.

Referenced by get_scale(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), set_scale(), GridforceFullMainGrid::set_scale(), and unpack().

long int GridforceFullBaseGrid::size

protected

Definition at line 166 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::get_all_gridvals(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), GridforceFullMainGrid::set_all_gridvals(), unpack(), GridforceFullMainGrid::unpack(), and GridforceFullSubGrid::unpack().

long int GridforceFullBaseGrid::size_nopad

protected

Definition at line 167 of file GridForceGrid.h.

Referenced by GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), readHeader(), and unpack().

GridforceFullSubGrid** GridforceFullBaseGrid::subgrids

protected

Definition at line 159 of file GridForceGrid.h.

Referenced by GridforceFullSubGrid::addToSubgridsFlat(), GridforceFullMainGrid::buildSubgridsFlat(), compute_VdV(), GridforceFullBaseGrid(), GridforceFullMainGrid::initialize(), GridforceFullSubGrid::initialize(), pack(), readSubgridHierarchy(), unpack(), and ~GridforceFullBaseGrid().

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The documentation for this class was generated from the following files:

• GridForceGrid.h
• GridForceGrid.C
• GridForceGrid.inl