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Bug List

Global Vgrid_writeDX(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, int *pvec)
This routine does not respect partition information

Global Vgrid_writeUHBD(Vgrid *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, char *title, int *pvec)
This routine does not respect partition information

Global Valist_buildMesh(Valist *thee, double size, const char *iodev, const char *iofmt, const char *thost, const char *fname)
This routine has not been tested.

Global Vgreen_helmholtz(Vgreen *thee, int npos, double *x, double *y, double *z, double *val, double kappa)
Not implemented yet

Global Vgreen_helmholtzD(Vgreen *thee, int npos, double *x, double *y, double *z, double *gradx, double *grady, double *gradz, double kappa)
Not implemented yet

Global Bmat_printHB(Bmat *thee, char *fname)
Hardwired to only handle the single block symmetric case.

Global Mat_lnDetDiag(Mat *thee)
Only works for Mat's of type RLN, CLN, or DRC.

Global Vfetk_dumpLocalVar()
This function is not thread-safe

Global Vfetk_externalUpdateFunction(SS **simps, int num)
This function is not thread-safe.

Global Vfetk_fillArray(Vfetk *thee, Bvec *vec, Vdata_Type type)
Several values of type are not implemented

Global Vfetk_lnDet(Vfetk *thee, int color, int oflag, int mflag)
color argument ignored

Global Vfetk_PDE_ctor(Vfetk *fetk)
Not thread-safe

Global Vfetk_PDE_ctor2(PDE *thee, Vfetk *fetk)
Not thread-safe

Global Vfetk_PDE_delta(PDE *thee, int type, int chart, double txq[], void *user, double F[])
This function is not thread-safe

Global Vfetk_PDE_DFu_wv(PDE *thee, int key, double W[], double dW[][3], double V[], double dV[][3])
This function is not thread-safe

Global Vfetk_PDE_Fu(PDE *thee, int key, double F[])
This function is not thread-safe

This function is not implemented (sets error to zero)

Global Vfetk_PDE_Fu_v(PDE *thee, int key, double V[], double dV[][3])
This function is not thread-safe

Global Vfetk_PDE_initElement(PDE *thee, int elementType, int chart, double tvx[][3], void *data)
This function is not thread-safe

Global Vfetk_PDE_initFace(PDE *thee, int faceType, int chart, double tnvec[])
This function is not thread-safe

Global Vfetk_PDE_initPoint(PDE *thee, int pointType, int chart, double txq[], double tU[], double tdU[][3])
This function is not thread-safe

This function uses pre-defined boudnary definitions for the molecular surface.

Global Vfetk_PDE_Ju(PDE *thee, int key)
This function is not thread-safe.

Global Vfetk_PDE_markSimplex(int dim, int dimII, int simplexType, int faceType[4], int vertexType[4], int chart[], double vx[][3], void *simplex)
This function is not thread-safe

Global Vfetk_PDE_u_D(PDE *thee, int type, int chart, double txq[], double F[])
This function is hard-coded to call only multiple-sphere Debye-Hü functions.

This function is not thread-safe.

Global Vfetk_PDE_u_T(PDE *thee, int type, int chart, double txq[], double F[])
This function is not thread-safe.

Global Vfetk_write(Vfetk *thee, const char *iodev, const char *iofmt, const char *thost, const char *fname, Bvec *vec, Vdata_Format format)
Some values of format are not implemented

Global energyFE(NOsh *nosh, int icalc, Vfetk *fetk[NOSH_MAXCALC], int *nenergy, double *totEnergy, double *qfEnergy, double *qmEnergy, double *dielEnergy)
"calcenergy 2" does not work

Global initFE(int icalc, NOsh *nosh, FEMparm *feparm, PBEparm *pbeparm, Vpbe *pbe[NOSH_MAXCALC], Valist *alist[NOSH_MAXMOL], Vfetk *fetk[NOSH_MAXCALC])
THIS FUNCTION IS HARD-CODED TO SOLVE LRPBE

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