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VEXTERNC Valist * | Vgreen_getValist (Vgreen *thee) |
| Get the atom list associated with this Green's function object.
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VEXTERNC unsigned long int | Vgreen_memChk (Vgreen *thee) |
| Return the memory used by this structure (and its contents) in bytes.
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VEXTERNC Vgreen * | Vgreen_ctor (Valist *alist) |
| Construct the Green's function oracle.
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VEXTERNC int | Vgreen_ctor2 (Vgreen *thee, Valist *alist) |
| FORTRAN stub to construct the Green's function oracle.
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VEXTERNC void | Vgreen_dtor (Vgreen **thee) |
| Destruct the Green's function oracle.
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VEXTERNC void | Vgreen_dtor2 (Vgreen *thee) |
| FORTRAN stub to destruct the Green's function oracle.
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VEXTERNC int | Vgreen_helmholtz (Vgreen *thee, int npos, double *x, double *y, double *z, double *val, double kappa) |
| Get the Green's function for Helmholtz's equation integrated over the atomic point charges.
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VEXTERNC int | Vgreen_helmholtzD (Vgreen *thee, int npos, double *x, double *y, double *z, double *gradx, double *grady, double *gradz, double kappa) |
| Get the gradient of Green's function for Helmholtz's equation integrated over the atomic point charges.
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VEXTERNC int | Vgreen_coulomb_direct (Vgreen *thee, int npos, double *x, double *y, double *z, double *val) |
| Get the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using direct summation.
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VEXTERNC int | Vgreen_coulomb (Vgreen *thee, int npos, double *x, double *y, double *z, double *val) |
| Get the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using direct summation or H. E. Johnston, R. Krasny FMM library (if available)
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VEXTERNC int | Vgreen_coulombD_direct (Vgreen *thee, int npos, double *x, double *y, double *z, double *pot, double *gradx, double *grady, double *gradz) |
| Get gradient of the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using direct summation.
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VEXTERNC int | Vgreen_coulombD (Vgreen *thee, int npos, double *x, double *y, double *z, double *pot, double *gradx, double *grady, double *gradz) |
| Get gradient of the Coulomb's Law Green's function (solution to Laplace's equation) integrated over the atomic point charges using either direct summation or H. E. Johnston/R. Krasny FMM library (if available)
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Contains declarations for class Vgreen.
- Version
- $Id$
- Author
- Nathan A. Baker
Definition in file vgreen.h.