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Vacc_splineAccGradAtomNorm
Vacc_splineAccGradAtomNorm(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, Vatom *atom, double *force): vacc.c
Vacc_splineAccGradAtomNorm(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, Vatom *atom, double *grad): vacc.c
Vacc_splineAccGradAtomNorm3
Vacc_splineAccGradAtomNorm3(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, Vatom *atom, double *force): vacc.c
Vacc_splineAccGradAtomNorm3(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, Vatom *atom, double *grad): vacc.c
Vacc_splineAccGradAtomNorm4
Vacc_splineAccGradAtomNorm4(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, Vatom *atom, double *force): vacc.c
Vacc_splineAccGradAtomNorm4(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, Vatom *atom, double *grad): vacc.c
Vacc_splineAccGradAtomUnnorm
Vacc_splineAccGradAtomUnnorm(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, Vatom *atom, double *force): vacc.c
Vacc_splineAccGradAtomUnnorm(Vacc *thee, double center[VAPBS_DIM], double win, double infrad, Vatom *atom, double *grad): vacc.c
Vacc_totalAtomdSAV
Vacc_totalAtomdSAV(Vacc *thee, double dpos, double radius, Vatom *atom, double *dSA, Vclist *clist): vacc.c
Vacc_totalAtomdSAV(Vacc *thee, double dpos, double srad, Vatom *atom, double *dSA, Vclist *clist): vacc.c
Vacc_wcaEnergyAtom
Vacc_wcaEnergyAtom(Vacc *thee, APOLparm *apolparm, Valist *alist, Vclist *clist, int iatom, double *value): vacc.c
Vacc_wcaEnergyAtom(Vacc *thee, APOLparm *apolparm, Valist *alist, Vclist *clist, int iatom, double *value): vacc.c
Vclist_ctor
Vclist_ctor(Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM]): vclist.c
Vclist_ctor(Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM]): vclist.c
Vclist_ctor2
Vclist_ctor2(Vclist *thee, Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM]): vclist.c
Vclist_ctor2(Vclist *thee, Valist *alist, double max_radius, int npts[VAPBS_DIM], Vclist_DomainMode mode, double lower_corner[VAPBS_DIM], double upper_corner[VAPBS_DIM]): vclist.c
Vfetk_PDE_delta
Vfetk_PDE_delta(PDE *thee, int type, int chart, double txq[], void *user, double F[]): vfetk.c
Vfetk_PDE_delta(PDE *thee, int type, int chart, double txq[], void *user, double F[]): vfetk.c
Vfetk_write
Vfetk_write(Vfetk *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, Bvec *vec, Vdata_Format format): vfetk.c
Vfetk_write(Vfetk *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, Bvec *vec, Vdata_Format format): vfetk.c
Vgreen_coulomb
Vgreen_coulomb(Vgreen *thee, int npos, double *x, double *y, double *z, double *val): vgreen.c
Vgreen_coulomb(Vgreen *thee, int npos, double *x, double *y, double *z, double *val): vgreen.c
Vgreen_coulomb_direct
Vgreen_coulomb_direct(Vgreen *thee, int npos, double *x, double *y, double *z, double *val): vgreen.c
Vgreen_coulomb_direct(Vgreen *thee, int npos, double *x, double *y, double *z, double *val): vgreen.c
Vgreen_coulombD
Vgreen_coulombD(Vgreen *thee, int npos, double *x, double *y, double *z, double *pot, double *gradx, double *grady, double *gradz): vgreen.c
Vgreen_coulombD(Vgreen *thee, int npos, double *x, double *y, double *z, double *pot, double *gradx, double *grady, double *gradz): vgreen.c
Vgreen_coulombD_direct
Vgreen_coulombD_direct(Vgreen *thee, int npos, double *x, double *y, double *z, double *pot, double *gradx, double *grady, double *gradz): vgreen.c
Vgreen_coulombD_direct(Vgreen *thee, int npos, double *x, double *y, double *z, double *pot, double *gradx, double *grady, double *gradz): vgreen.c
Vgreen_helmholtz
Vgreen_helmholtz(Vgreen *thee, int npos, double *x, double *y, double *z, double *val, double kappa): vgreen.c
Vgreen_helmholtz(Vgreen *thee, int npos, double *x, double *y, double *z, double *val, double kappa): vgreen.c
Vgreen_helmholtzD
Vgreen_helmholtzD(Vgreen *thee, int npos, double *x, double *y, double *z, double *gradx, double *grady, double *gradz, double kappa): vgreen.c
Vgreen_helmholtzD(Vgreen *thee, int npos, double *x, double *y, double *z, double *gradx, double *grady, double *gradz, double kappa): vgreen.c
Vgrid_ctor
Vgrid_ctor(int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *data): vgrid.c
Vgrid_ctor(int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *data): vgrid.c
Vgrid_ctor2
Vgrid_ctor2(Vgrid *thee, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *data): vgrid.c
Vgrid_ctor2(Vgrid *thee, int nx, int ny, int nz, double hx, double hy, double hzed, double xmin, double ymin, double zmin, double *data): vgrid.c
Vgrid_writeDX
Vgrid_writeDX(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec): vgrid.c
Vgrid_writeDX(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec): vgrid.c
Vgrid_writeGZ
Vgrid_writeGZ(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec): vgrid.c
Vgrid_writeGZ(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec): vgrid.c
Vgrid_writeUHBD
Vgrid_writeUHBD(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec): vgrid.c
Vgrid_writeUHBD(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, double *pvec): vgrid.c
Vpbe_ctor
Vpbe_ctor(Valist *alist, int ionNum, double *ionConc, double *ionRadii, double *ionQ, double T, double soluteDiel, double solventDiel, double solventRadius, int focusFlag, double sdens, double z_mem, double L, double membraneDiel, double V): vpbe.c
Vpbe_ctor(Valist *alist, int ionNum, double *ionConc, double *ionRadii, double *ionQ, double T, double soluteDiel, double solventDiel, double solventRadius, int focusFlag, double sdens, double z_mem, double L, double membraneDiel, double V): vpbe.c
Vpbe_ctor2
Vpbe_ctor2(Vpbe *thee, Valist *alist, int ionNum, double *ionConc, double *ionRadii, double *ionQ, double T, double soluteDiel, double solventDiel, double solventRadius, int focusFlag, double sdens, double z_mem, double L, double membraneDiel, double V): vpbe.c
Vpbe_ctor2(Vpbe *thee, Valist *alist, int ionNum, double *ionConc, double *ionRadii, double *ionQ, double T, double soluteDiel, double solventDiel, double solventRadius, int focusFlag, double sdens, double z_mem, double L, double membraneDiel, double V): vpbe.c
Vpee_markRefine
Vpee_markRefine(Vpee *thee, AM *am, int level, int akey, int rcol, double etol, int bkey): vpee.c
Vpee_markRefine(Vpee *thee, AM *am, int level, int akey, int rcol, double etol, int bkey): vpee.c
Vpmg_ctor
Vpmg_ctor(Vpmgp *parms, Vpbe *pbe, int focusFlag, Vpmg *pmgOLD, MGparm *mgparm, PBEparm_calcEnergy energyFlag): vpmg.c
Vpmg_ctor(Vpmgp *pmgp, Vpbe *pbe, int focusFlag, Vpmg *pmgOLD, MGparm *mgparm, PBEparm_calcEnergy energyFlag): vpmg.c
Vpmg_ctor2
Vpmg_ctor2(Vpmg *thee, Vpmgp *parms, Vpbe *pbe, int focusFlag, Vpmg *pmgOLD, MGparm *mgparm, PBEparm_calcEnergy energyFlag): vpmg.c
Vpmg_ctor2(Vpmg *thee, Vpmgp *pmgp, Vpbe *pbe, int focusFlag, Vpmg *pmgOLD, MGparm *mgparm, PBEparm_calcEnergy energyFlag): vpmg.c
Vpmg_fillArray
Vpmg_fillArray(Vpmg *thee, double *vec, Vdata_Type type, double parm, Vhal_PBEType pbetype, PBEparm *pbeparm): vpmg.c
Vpmg_fillArray(Vpmg *thee, double *vec, Vdata_Type type, double parm, Vhal_PBEType pbetype, PBEparm *pbeparm): vpmg.c
Vpmg_fillco
Vpmg_fillco(Vpmg *thee, Vsurf_Meth surfMeth, double splineWin, Vchrg_Meth chargeMeth, int useDielXMap, Vgrid *dielXMap, int useDielYMap, Vgrid *dielYMap, int useDielZMap, Vgrid *dielZMap, int useKappaMap, Vgrid *kappaMap, int usePotMap, Vgrid *potMap, int useChargeMap, Vgrid *chargeMap): vpmg.c
Vpmg_fillco(Vpmg *thee, Vsurf_Meth surfMeth, double splineWin, Vchrg_Meth chargeMeth, int useDielXMap, Vgrid *dielXMap, int useDielYMap, Vgrid *dielYMap, int useDielZMap, Vgrid *dielZMap, int useKappaMap, Vgrid *kappaMap, int usePotMap, Vgrid *potMap, int useChargeMap, Vgrid *chargeMap): vpmg.c
Vpmgp_makeCoarse
Vpmgp_makeCoarse(int numLevel, int nxOld, int nyOld, int nzOld, int *nxNew, int *nyNew, int *nzNew): vpmgp.c
Vpmgp_makeCoarse(int numLevel, int nxOld, int nyOld, int nzOld, int *nxNew, int *nyNew, int *nzNew): vpmgp.c
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