📄 changelog
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* TODO: updated * ChangeLog, configure.in, NEWS: bumped version number, prepare for release2001-01-06 Steven G. Johnson <stevenj@alum.mit.edu> * doc/license.html: clarification * doc/analysis-tutorial.html: updated fcc units note * doc/analysis-tutorial.html, doc/diamond-bands.gif, mpb-ctl/examples/diamond.ctl: use standard units for fcc (diamond) * mpb-ctl/mpb.scm.in: bug fix in filename-prefix use (fixes bug introduced by previous change) * doc/analysis-tutorial.html, doc/index.html, doc/user-ref.html: expanded table of contents * doc/installation.html: clarification of efence * doc/installation.html: fixes * doc/installation.html: fixed missing link * doc/installation.html: slight change * doc/installation.html: emphasize HDF5 * doc/installation.html: noted more clearly that MPI is not yet used * doc/installation.html: fixed ref * doc/installation.html: recommend ATLAS * doc/installation.html: moved Bourne shell note up front. * doc/installation.html: grammar fix(?) * doc/installation.html: notes on binary packages for Linux * doc/license.html: clarification * doc/license.html: expanded and updated referencing suggestions * doc/license.html: comma goes outside of link * doc/license.html: fixed capitalization * src/matrices/matrices.c, src/matrices/matrices.h, src/matrices/scalar.h, src/matrices/sqmatrix.c, src/matrixio/evectmatrixio.c, src/matrixio/fieldio.c, src/matrixio/matrixio.c, src/matrixio/matrixio.h, src/maxwell/maxwell.c, src/maxwell/maxwell_eps.c, src/maxwell/maxwell.h, src/maxwell/maxwell_op.c, src/maxwell/maxwell_pre.c, src/util/check.h, src/util/debug_malloc.c, src/util/fortranize.h, src/util/mpiglue.h, src/util/mpi_utils.c, src/util/mpi_utils.h, tests/blastest.c, tests/eigs_test.c, tests/malloctest.c, tests/maxwell_test.c, utils/mpb-data.1, utils/mpb-data.c, COPYRIGHT, mpb-ctl/epsilon_file.c, mpb-ctl/mpb.1, mpb-ctl/mpb.c, mpb-ctl/mpb.h, mpb-ctl/mpb.scm.in, src/matrices/blasglue.c, src/matrices/blasglue.h, src/matrices/eigensolver.c, src/matrices/eigensolver_davidson.c, src/matrices/eigensolver.h, src/matrices/eigensolver_utils.c, src/matrices/evectmatrix.c, src/matrices/linmin.c, src/matrices/linmin.h: 2001 copyright year update * doc/license.html: fixed copyright year * doc/license.html: Added Latin quote and fixed reference. * doc/developer.html: fixed reference * ChangeLog: fixed email * ChangeLog: updated * mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in, NEWS: read filename-prefix on each output call2001-01-03 Steven G. Johnson <stevenj@alum.mit.edu> * /home/stevenj/Repository/mpb/NEWS, /home/stevenj/Repository/mpb/doc/user-ref.html: documented using thunks for band functions * /home/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: accept thunks as band functions * /home/stevenj/Repository/mpb/doc/user-ref.html, /home/stevenj/Repository/mpb/mpb-ctl/mpb.c, /home/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in, /home/stevenj/Repository/mpb/NEWS: compute-field-energy now returns the fraction of the energy in each field component. Also, fixed a bug in the group velocity calculation when eigensolver-block-size < num-bands. Thanks to Karl Koch for the suggestion and bug report. * /home/stevenj/Repository/mpb/src/matrices/blasglue.c: fixed calling real syev for complex scalars2000-11-12 Steven G. Johnson <stevenj@alum.mit.edu> * /home/stevenj/Repository/mpb/src/matrices/blasglue.c, /home/stevenj/Repository/mpb/src/matrices/blasglue.h: separate function for eigenvalues of real matrices, if we need them2000-11-10 Steven G. Johnson <stevenj@alum.mit.edu> * /home/stevenj/Repository/mpb/src/maxwell/maxwell_eps.c: comment2000-11-07 Steven G. Johnson <stevenj@alum.mit.edu> * /home/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in, /home/stevenj/Repository/mpb/src/matrices/evectmatrix.c, /home/stevenj/Repository/mpb/src/matrices/matrices.h: changed flop count to double to avoid overflow * /home/stevenj/Repository/mpb/src/matrices/eigensolver_davidson.c: make trace output more closely match other eigensolver's * /home/stevenj/Repository/mpb/src/matrices/eigensolver.c: print more digits in eigensolver trace output * /home/stevenj/Repository/mpb/mpb-ctl/mpb.c, /home/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in, /home/stevenj/Repository/mpb/src/matrices/evectmatrix.c, /home/stevenj/Repository/mpb/src/matrices/matrices.h: added flop count, nwork & davidson user control * /home/stevenj/Repository/mpb/doc/analysis-tutorial.html: noted reference for diamond2000-11-06 Steven G. Johnson <stevenj@alum.mit.edu> * /home/stevenj/Repository/mpb/src/matrices/eigensolver_davidson.c: added dead code for alternate computation method of computing AY... * /home/stevenj/Repository/mpb/src/maxwell/maxwell.h, /home/stevenj/Repository/mpb/src/maxwell/maxwell_op.c: added maxwell_target_operator1 * /home/stevenj/Repository/mpb/src/matrices/eigensolver.c: put constraint in a more logical place, after the preconditioner.2000-11-04 Steven G. Johnson <stevenj@alum.mit.edu> * /home/stevenj/Repository/mpb/src/matrices/eigensolver.c: reorder iteration output so it's a little less misleading (iteration 1 is now after the first eigenvector update, and the last iteration can be printed)2000-10-30 Steven G. Johnson <stevenj@alum.mit.edu> * /home/stevenj/Repository/mpb/tests/normal_vectors.c: use uniform directions on a sphere2000-10-26 Steven G. Johnson <stevenj@alum.mit.edu> * /home/stevenj/Repository/mpb/mpb-ctl/examples/check.ctl: use a slightly lower tolerance for the targeted eigensolver * /home/stevenj/Repository/mpb/mpb-ctl/examples/check.ctl: updated for new MPB...in particular, 3d numbers have changed because of the new spherical quadrature, and 2d numbers may have changed slightly because of the new handling of the Gamma points. Also fixed some bugs where some of the tests that I had blithely inserted conflicted with one another. * /home/stevenj/Repository/mpb/doc/user-ref.html, /home/stevenj/Repository/mpb/mpb-ctl/mpb.c, /home/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: changed default block size, made more flexible * /home/stevenj/Repository/mpb/mpb-ctl/mpb.c: print a message to remind the user when we're assuming inversion symmetry * /home/stevenj/Repository/mpb/mpb-ctl/mpb.c: fixed bug in integration (eps_mean, energy in object, etcetera) when using inversion symmetry. Because of the funny format output by real FFTs, the fields stored are slightly *over* half of the full "logical" arrays. One has to be careful not to overcount the boundary points.2000-10-25 Steven G. Johnson <stevenj@alum.mit.edu> * /home/stevenj/Repository/mpb/NEWS: updated * /home/stevenj/Repository/mpb/configure.in, /home/stevenj/Repository/mpb/doc/installation.html, /home/stevenj/Repository/mpb/doc/user-ref.html, /home/stevenj/Repository/mpb/mpb-ctl/mpb.c, /home/stevenj/Repository/mpb/src/maxwell/maxwell.c, /home/stevenj/Repository/mpb/src/maxwell/maxwell.h, /home/stevenj/Repository/mpb/src/maxwell/maxwell_eps.c, /home/stevenj/Repository/mpb/src/maxwell/maxwell_op.c, /home/stevenj/Repository/mpb/src/maxwell/maxwell_pre.c: support inversion symmetry2000-10-23 Steven G. Johnson <stevenj@alum.mit.edu> * doc/user-ref.html, mpb-ctl/examples/bragg.ctl, mpb-ctl/mpb.c, mpb-ctl/mpb.scm.in, NEWS, src/matrices/eigensolver.c, src/matrices/evectmatrix.c, src/matrices/matrices.c, src/matrices/matrices.h, src/maxwell/maxwell.c, src/maxwell/maxwell.h, src/maxwell/maxwell_pre.c: added eigensolver-block-size and zero-k handling2000-10-22 Steven G. Johnson <stevenj@alum.mit.edu> * NEWS: added first-brillouin-zone function * doc/user-ref.html: documented first-brillouin-zone * mpb-ctl/mpb.scm.in: added first-brillouin-zone2000-10-21 Steven G. Johnson <stevenj@alum.mit.edu> * tests/normal_vectors.c: print more angle information2000-09-21 Steven G. Johnson <stevenj@alum.mit.edu> * doc/user-ref.html: clarification of compute-field-energy normalization2000-08-10 Steven G. Johnson <stevenj@alum.mit.edu> * utils/mpb-data.c: Re-mapping (rectangularizing, etcetera) now maps the center of the original primitive cell to the center of the output. Also, the -x, -y, and -z lattice multipliers now apply to the axes *after* the cell is rectangularized.2000-08-06 Steven G. Johnson <stevenj@alum.mit.edu> * configure.in: Fix test for sunperf...-xlic_lib only supported in Sun cc, not gcc.2000-08-05 Steven G. Johnson <stevenj@alum.mit.edu> * doc/installation.html: updated PHiPACK URL.2000-07-18 Steven G. Johnson <stevenj@alum.mit.edu> * doc/license.html: John likes to go by his initials. * doc/license.html: noted Meade reference2000-07-12 Steven G. Johnson <stevenj@alum.mit.edu> * tests/malloctest.c: added benchmark * src/maxwell/maxwell_eps.c, tests/Makefile.in, tests/normal_vectors.c, src/maxwell/maxwell.h: Added more sophisticated spherical quadrature algorithm for computing normal vectors (rather than just using the vertices of an icosahedron).2000-07-10 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/mpb-ctl/examples/check.ctl: Updated frequencies to account for changes due to new 12-point mesh for normal vectors in 2d. (This really only affects TE states.) We really need to do a more sophisticated quadrature in 3d, too; good algorithms are apparently available.2000-07-09 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/tests/eigs_test.c: updated for new sqmatrix_invert arguments * /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c, /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h, /home/a/stevenj/Repository/mpb/src/matrices/eigensolver_davidson.c, /home/a/stevenj/Repository/mpb/src/matrices/eigensolver_utils.c, /home/a/stevenj/Repository/mpb/src/matrices/evectmatrix.c, /home/a/stevenj/Repository/mpb/src/matrices/matrices.h, /home/a/stevenj/Repository/mpb/src/matrices/sqmatrix.c, /home/a/stevenj/Repository/mpb/src/matrices/blasglue.c, /home/a/stevenj/Repository/mpb/src/matrices/blasglue.h: Added experimental EIGS_ORTHOGONAL_PRECONDITIONER code (doesn't seem to give any consistent benefit at this point). * /home/a/stevenj/Repository/mpb/doc/user-ref.html: fixed typo * /home/a/stevenj/Repository/mpb/ChangeLog, /home/a/stevenj/Repository/mpb/NEWS, /home/a/stevenj/Repository/mpb/configure.in: Updated. * /home/a/stevenj/Repository/mpb/doc/user-ref.html: documented group-velocity functions2000-07-09 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/mpb-ctl/examples/check.ctl, /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: Added beginnings of a test suite. * /home/a/stevenj/Repository/mpb/utils/mpb-data.1, /home/a/stevenj/Repository/mpb/utils/mpb-data.c: added -e option to specify orientation2000-07-04 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/doc/user-tutorial.html: fixed typo2000-07-03 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/src/maxwell/maxwell_eps.c: Use finer mesh in 2d for normal vector computation (so as not to break 90-degree rotational symmetries). I also need to think about the 3d mesh, although it seems to be a hard problem there to come up with general spherically "symmetric" distributions of 3d points. Perhaps some sort of weighted quadrature?2000-06-14 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/src/matrixio/matrixio.c: Yikes! Fixed crashing bug!2000-06-01 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/src/matrices/eigensolver_davidson.c: added initial try at Davidson eigensolver2000-05-31 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/doc/installation.html: added sub-headings in installation section, to draw peoples attention to the two issues they need to consider. Thanks to Maksim for pointing out that this was easily missed.2000-05-23 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: Added (index n) substitute for epsilon property of dielectrics.2000-05-16 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h, /home/a/stevenj/Repository/mpb/src/matrices/evectmatrix.c, /home/a/stevenj/Repository/mpb/src/matrices/matrices.c, /home/a/stevenj/Repository/mpb/src/matrices/matrices.h, /home/a/stevenj/Repository/mpb/src/matrices/sqmatrix.c, /home/a/stevenj/Repository/mpb/src/matrices/Makefile.in, /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: added experimental (unused) Davidson eigensolver * /home/a/stevenj/Repository/mpb/mpb-ctl/Makefile.in: updated copyright year2000-05-11 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c: make sure linmin tolerance is no larger than eigensolver tolerance * /home/a/stevenj/Repository/mpb/doc/license.html: noted inclusion, with permission, of code from MINPACK-2 * /home/a/stevenj/Repository/mpb/configure.in, /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in: improved handling of optional Guile sort routine2000-05-10 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.c, /home/a/stevenj/Repository/mpb/src/matrices/eigensolver.h, /home/a/stevenj/Repository/mpb/src/matrices/linmin.c, /home/a/stevenj/Repository/mpb/src/matrices/linmin.h, /home/a/stevenj/Repository/mpb/src/matrices/minpack2-linmin.c, /home/a/stevenj/Repository/mpb/configure.in, /home/a/stevenj/Repository/mpb/mpb-ctl/mpb.scm.in, /home/a/stevenj/Repository/mpb/src/config.h.in, /home/a/stevenj/Repository/mpb/src/matrices/Makefile.in: Many changes. Switched to line minimization routine from MINPACK-2, thanks to Jorge More. Added reorthogonalization option to eigensolver, and renormalization of D, to combat numerical problems. Added option (not on by default) to dynamically reset CG based on convergence history, and also another unused option to orthogonalize the first step. Checked to see if Guile provides a sort routine (new in 1.3.4, I think), before using it in mpb.scm.in. (Or should we do this dynamically?)2000-05-03 Steven G. Johnson <stevenj@alum.mit.edu> * /home/a/stevenj/Repository/mpb/doc/analysis-tutorial.html: more clarification * /home/a/stevenj/Repository/mpb/doc/tri-rods-ez1.gif, /home/a/stevenj/Repository/mpb/doc/tri-rods-ez2.gif, /home/a/stevenj/Repository/mpb/doc/tri-rods-ez3.gif, /home/a/stevenj/Repository/mpb/doc/tri-rods-ez4.gif, /home/a/stevenj/Repository/mpb/doc/tri-rods-ez5.gif, /home/a/stevenj/Repository/mpb/doc/tri-rods-ez6.gif,
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