APBS 3.0.0
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Data Fields
sBEMparm Struct Reference
BEMparm class

Parameter structure for BEM-specific variables from input files. More...

#include </builddir/build/BUILD/apbs-3.0.0-build/apbs-3.0.0/src/generic/bemparm.h>

Data Fields

BEMparm_CalcType type
 
int parsed
 
Vchrg_Src chgs
 
int tree_order
 
int settree_order
 
int tree_n0
 
int settree_n0
 
double mac
 
int setmac
 
int nonlintype
 
int setnonlintype
 
int mesh
 
int setmesh
 
int outdata
 
int setoutdata
 

Detailed Description

Parameter structure for BEM-specific variables from input files.

Author
Nathan Baker and Todd Dolinsky and Weihua Geng
Note
If you add/delete/change something in this class, the member functions – especially BEMparm_copy – must be modified accordingly

Definition at line 96 of file bemparm.h.

Field Documentation

◆ chgs

Vchrg_Src chgs

Charge source (Charge, Multipole, Induced Dipole, NL Induced. Not currently implemented but should be relatively easy to add in the future (cf Pengyu Ren)

Definition at line 102 of file bemparm.h.

◆ mac

double mac

Multipole acceptance criterion (should be between 0 and 1)

Definition at line 108 of file bemparm.h.

◆ mesh

int mesh

0 for msms, 1 for NanoShaper SES, 2 for NanoShaper Skin

Definition at line 113 of file bemparm.h.

◆ nonlintype

int nonlintype

Linearity Type Method to be used

Definition at line 110 of file bemparm.h.

◆ outdata

int outdata

0 does not output vtk, 1 outputs vtk

Definition at line 116 of file bemparm.h.

◆ parsed

int parsed

Has this structure been filled? (0 = no, 1 = yes)

Definition at line 99 of file bemparm.h.

◆ setmac

int setmac

Flag,

See also
mac

Definition at line 109 of file bemparm.h.

◆ setmesh

int setmesh

Flag,

See also
mesh

Definition at line 114 of file bemparm.h.

◆ setnonlintype

int setnonlintype

Flag,

See also
nonlintype

Definition at line 111 of file bemparm.h.

◆ setoutdata

int setoutdata

Flag,

See also
outdata

Definition at line 117 of file bemparm.h.

◆ settree_n0

int settree_n0

Flag,

See also
tree_npart

Definition at line 107 of file bemparm.h.

◆ settree_order

int settree_order

Flag,

See also
tree_order

Definition at line 105 of file bemparm.h.

◆ tree_n0

int tree_n0

Number of particles per leaf of the tree

Definition at line 106 of file bemparm.h.

◆ tree_order

int tree_order

User-defined order for the treecode expansion

Definition at line 104 of file bemparm.h.

◆ type

BEMparm_CalcType type

What type of BEM calculation?

Definition at line 98 of file bemparm.h.

The documentation for this struct was generated from the following file: