/*
- *
+ *
* This file is part of Gromacs Copyright (c) 1991-2004
* David van der Spoel, Erik Lindahl, University of Groningen.
*
* diagonalization and SVD for sparse matrices in Gromacs.
*
* The code has been translated to C to avoid being dependent on
- * a Fotran compiler, and it has been made threadsafe by using
+ * a Fotran compiler, and it has been made threadsafe by using
* additional workspace arrays to store data during reverse communication.
*
* You might prefer the original ARPACK library for general use, but
* precision work array workd needs to be of size (3*N+4) here
* (4 more than the general library), and there is an extra argument
* iwork, which should be an integer work array of length 80.
- *
- * ARPACK was written by
+ *
+ * ARPACK was written by
*
* Danny Sorensen Phuong Vu
* Riconst chard Lehoucq CRPC / Rice University
* Dept. of Computational & Houston, Texas
* Applied Mathematics
- * Rice University
- * Houston, Texas
+ * Rice University
+ * Houston, Texas
*/
/*! \internal \file
* \brief
/*! \brief Implicitly Restarted Arnoldi Iteration, double precision.
*
- * Reverse communication interface for the Implicitly Restarted Arnoldi
+ * Reverse communication interface for the Implicitly Restarted Arnoldi
* Iteration. For symmetric problems this reduces to a variant of the
* Lanczos method. See the ARPACK site for details.
*
* Return with ido=99 means it finished.
* \param bmat 'I' for standard eigenproblem, 'G' for generalized.
* \param n Order of eigenproblem.
- * \param which Which eigenvalues to calculate. 'LA' for largest
+ * \param which Which eigenvalues to calculate. 'LA' for largest
* algebraic, 'SA' for smallest algebraic, 'LM' for largest
* magnitude, 'SM' for smallest magnitude, and finally
* 'BE' (both ends) to calculate half from each end of
* \param nev Number of eigenvalues to calculate. 0<nev<n.
* \param tol Tolerance. Machine precision of it is 0.
* \param resid Optional starting residual vector at input if info=1,
- * otherwise a random one is used. Final residual vector on
+ * otherwise a random one is used. Final residual vector on
* return.
* \param ncv Number of columns in matrix v.
* \param v N*NCV matrix. V contain the Lanczos basis vectors.
* \param iparam Integer array, size 11. Same contents as arpack.
* \param ipntr Integer array, size 11. Points to starting locations
* in the workd/workl arrays. Same contents as arpack.
- * \param workd Double precision work array, length 3*n+4.
+ * \param workd Double precision work array, length 3*n+4.
* Provide the same array for all calls, and don't touch it.
* IMPORTANT: This is 4 units larger than standard ARPACK!
- * \param iwork Integer work array, size 80.
+ * \param iwork Integer work array, size 80.
* Provide the same array for all calls, and don't touch it.
* IMPORTANT: New argument compared to standard ARPACK!
* \param workl Double precision work array, length lwork.
* \param lworkl Length of the work array workl. Must be at least ncv*(ncv+8)
* \param info Set info to 0 to use random initial residual vector,
- * or to 1 if you provide a one. On output, info=0 means
+ * or to 1 if you provide a one. On output, info=0 means
* normal exit, 1 that max number of iterations was reached,
* and 3 that no shifts could be applied. Negative numbers
* correspond to errors in the arguments provided.
*/
void
-F77_FUNC(dsaupd,DSAUPD)(int * ido,
- const char * bmat,
- int * n,
- const char * which,
- int * nev,
- double * tol,
- double * resid,
- int * ncv,
- double * v,
- int * ldv,
- int * iparam,
- int * ipntr,
- double * workd,
- int * iwork,
- double * workl,
- int * lworkl,
- int * info);
+ F77_FUNC(dsaupd, DSAUPD) (int * ido,
+ const char * bmat,
+ int * n,
+ const char * which,
+ int * nev,
+ double * tol,
+ double * resid,
+ int * ncv,
+ double * v,
+ int * ldv,
+ int * iparam,
+ int * ipntr,
+ double * workd,
+ int * iwork,
+ double * workl,
+ int * lworkl,
+ int * info);
* \param rvec 1 if you want eigenvectors, 0 if not.
* \param howmny 'A' if you want all nvec vectors, 'S' if you
* provide a subset selection in select[].
- * \param select Integer array, dimension nev. Indices of the
+ * \param select Integer array, dimension nev. Indices of the
* eigenvectors to calculate. Fortran code means we
* start counting on 1. This array must be given even in
* howmny is 'A'. (Arpack documentation is wrong on this).
- * \param d Double precision array, length nev. Eigenvalues.
- * \param z Double precision array, n*nev. Eigenvectors.
+ * \param d Double precision array, length nev. Eigenvalues.
+ * \param z Double precision array, n*nev. Eigenvectors.
* \param ldz Leading dimension of z. Normally n.
* \param sigma Shift if iparam[6] is 3,4, or 5. Ignored otherwise.
* \param bmat Provide the same argument as you did to dsaupd()
* \param info Provide the same argument as you did to dsaupd()
*/
void
-F77_FUNC(dseupd,DSEUPD)(int * rvec,
- const char * howmny,
- int * select,
- double * d,
- double * z,
- int * ldz,
- double * sigma,
- const char * bmat,
- int * n,
- const char * which,
- int * nev,
- double * tol,
- double * resid,
- int * ncv,
- double * v,
- int * ldv,
- int * iparam,
- int * ipntr,
- double * workd,
- double * workl,
- int * lworkl,
- int * info);
+ F77_FUNC(dseupd, DSEUPD) (int * rvec,
+ const char * howmny,
+ int * select,
+ double * d,
+ double * z,
+ int * ldz,
+ double * sigma,
+ const char * bmat,
+ int * n,
+ const char * which,
+ int * nev,
+ double * tol,
+ double * resid,
+ int * ncv,
+ double * v,
+ int * ldv,
+ int * iparam,
+ int * ipntr,
+ double * workd,
+ double * workl,
+ int * lworkl,
+ int * info);
/*! \brief Implicitly Restarted Arnoldi Iteration, single precision.
*
- * Reverse communication interface for the Implicitly Restarted Arnoldi
+ * Reverse communication interface for the Implicitly Restarted Arnoldi
* Iteration. For symmetric problems this reduces to a variant of the
* Lanczos method. See the ARPACK site for details.
*
* Return with ido=99 means it finished.
* \param bmat 'I' for standard eigenproblem, 'G' for generalized.
* \param n Order of eigenproblem.
- * \param which Which eigenvalues to calculate. 'LA' for largest
+ * \param which Which eigenvalues to calculate. 'LA' for largest
* algebraic, 'SA' for smallest algebraic, 'LM' for largest
* magnitude, 'SM' for smallest magnitude, and finally
* 'BE' (both ends) to calculate half from each end of
* \param nev Number of eigenvalues to calculate. 0<nev<n.
* \param tol Tolerance. Machine precision of it is 0.
* \param resid Optional starting residual vector at input if info=1,
- * otherwise a random one is used. Final residual vector on
+ * otherwise a random one is used. Final residual vector on
* return.
* \param ncv Number of columns in matrix v.
* \param v N*NCV matrix. V contain the Lanczos basis vectors.
* \param iparam Integer array, size 11. Same contents as arpack.
* \param ipntr Integer array, size 11. Points to starting locations
* in the workd/workl arrays. Same contents as arpack.
- * \param workd Single precision work array, length 3*n+4.
+ * \param workd Single precision work array, length 3*n+4.
* Provide the same array for all calls, and don't touch it.
* IMPORTANT: This is 4 units larger than standard ARPACK!
- * \param iwork Integer work array, size 80.
+ * \param iwork Integer work array, size 80.
* Provide the same array for all calls, and don't touch it.
* IMPORTANT: New argument compared to standard ARPACK!
* \param workl Single precision work array, length lwork.
* \param lworkl Length of the work array workl. Must be at least ncv*(ncv+8)
* \param info Set info to 0 to use random initial residual vector,
- * or to 1 if you provide a one. On output, info=0 means
+ * or to 1 if you provide a one. On output, info=0 means
* normal exit, 1 that max number of iterations was reached,
* and 3 that no shifts could be applied. Negative numbers
* correspond to errors in the arguments provided.
*/
-void
-F77_FUNC(ssaupd,SSAUPD)(int * ido,
- const char * bmat,
- int * n,
- const char * which,
- int * nev,
- float * tol,
- float * resid,
- int * ncv,
- float * v,
- int * ldv,
- int * iparam,
- int * ipntr,
- float * workd,
- int * iwork,
- float * workl,
- int * lworkl,
- int * info);
+void
+ F77_FUNC(ssaupd, SSAUPD) (int * ido,
+ const char * bmat,
+ int * n,
+ const char * which,
+ int * nev,
+ float * tol,
+ float * resid,
+ int * ncv,
+ float * v,
+ int * ldv,
+ int * iparam,
+ int * ipntr,
+ float * workd,
+ int * iwork,
+ float * workl,
+ int * lworkl,
+ int * info);
* \param rvec 1 if you want eigenvectors, 0 if not.
* \param howmny 'A' if you want all nvec vectors, 'S' if you
* provide a subset selection in select[].
- * \param select Integer array, dimension nev. Indices of the
+ * \param select Integer array, dimension nev. Indices of the
* eigenvectors to calculate. Fortran code means we
* start counting on 1. This array must be given even in
* howmny is 'A'. (Arpack documentation is wrong on this).
- * \param d Single precision array, length nev. Eigenvalues.
- * \param z Single precision array, n*nev. Eigenvectors.
+ * \param d Single precision array, length nev. Eigenvalues.
+ * \param z Single precision array, n*nev. Eigenvectors.
* \param ldz Leading dimension of z. Normally n.
* \param sigma Shift if iparam[6] is 3,4, or 5. Ignored otherwise.
* \param bmat Provide the same argument as you did to ssaupd()
* \param info Provide the same argument as you did to ssaupd()
*/
void
-F77_FUNC(sseupd,SSEUPD)(int * rvec,
- const char * howmny,
- int * select,
- float * d,
- float * z,
- int * ldz,
- float * sigma,
- const char * bmat,
- int * n,
- const char * which,
- int * nev,
- float * tol,
- float * resid,
- int * ncv,
- float * v,
- int * ldv,
- int * iparam,
- int * ipntr,
- float * workd,
- float * workl,
- int * lworkl,
- int * info);
+ F77_FUNC(sseupd, SSEUPD) (int * rvec,
+ const char * howmny,
+ int * select,
+ float * d,
+ float * z,
+ int * ldz,
+ float * sigma,
+ const char * bmat,
+ int * n,
+ const char * which,
+ int * nev,
+ float * tol,
+ float * resid,
+ int * ncv,
+ float * v,
+ int * ldv,
+ int * iparam,
+ int * ipntr,
+ float * workd,
+ float * workl,
+ int * lworkl,
+ int * info);
#ifdef __cplusplus
}
#endif
#endif
-
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff