FSFrame Class Reference
#include <fs.h>
Public Member Functions | |
| FSFrame () | |
| virtual void | potential () |
| void | finnis_sinclair () |
| virtual void | Alloc () |
| int | readpot () |
| virtual void | initvars () |
| virtual void | initparser () |
| virtual int | exec (char *name) |
Public Attributes | |
| class FSParam | _FSPM |
| double * | rhoh |
| double * | af |
Detailed Description
Definition at line 34 of file fs.h.
Constructor & Destructor Documentation
Member Function Documentation
| void FSFrame::Alloc | ( | ) | [virtual] |
Reimplemented from MDFrame.
Definition at line 119 of file fs.cpp.
References MDFrame::_NP, af, MDFrame::allocmultiple, Realloc, and rhoh.
| int FSFrame::exec | ( | char * | name | ) | [virtual] |
Reimplemented from MDFrame.
Definition at line 109 of file fs.cpp.
References bindcommand, MDFrame::exec(), and readpot().
| void FSFrame::finnis_sinclair | ( | ) |
Definition at line 129 of file fs.cpp.
References MDFrame::_EPOT, MDFrame::_EPOT_IND, MDFrame::_F, _FSPM, MDFrame::_NP, MDFrame::_SR, af, Vector3::clear(), FSParam::const_A, FSParam::const_alpha, FSParam::const_B, FSParam::const_b0, FSParam::const_beta, FSParam::const_c, FSParam::const_c0, FSParam::const_c1, FSParam::const_c2, FSParam::const_d, FSParam::const_d_sq, DUMP, MDFrame::fixed, MDFrame::fixedatomenergypartition, MDFrame::nindex, MDFrame::nn, Vector3::norm2(), FSParam::rcut, refreshneighborlist, rhoh, and Vector3::subint().
Referenced by potential().
| void FSFrame::initparser | ( | ) | [virtual] |
| void FSFrame::initvars | ( | ) | [virtual] |
| void FSFrame::potential | ( | ) | [virtual] |
| int FSFrame::readpot | ( | ) |
Definition at line 91 of file fs.cpp.
References _FSPM, MDFrame::_RLIST, MDFrame::_SKIN, MDFrame::potfile, FSParam::readfile(), FSParam::rlist, and FSParam::skin.
Referenced by exec().
Member Data Documentation
| class FSParam FSFrame::_FSPM |
| double * FSFrame::af |
| double* FSFrame::rhoh |
The documentation for this class was generated from the following files:
