changelog

麻省理工的计算光子晶体的程序

2003-02-27  Steven G. Johnson  <stevenj@ab-initio>

	* NEWS: tense

	* NEWS, ChangeLog: updated

	* mpb-ctl/mpb.scm.in:
	bug fix: kdir is in reciprocal coordinates.  Thanks to Suxia (Susan)
	Yang for tracking down this bug.

2003-02-25  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/epsilon.c: fixed SunOS problem where guile 1/infinity
	and C 1/infinity give apparently different results...thanks to
	Benjamin Cowan for the bug report

2003-02-21  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.scm.in: change prompt to mpb>

2003-01-21  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/examples/sq-rods.ctl: whoops

	* mpb-ctl/examples/sq-rods.ctl: GaAs is n=11.56

2002-12-17  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.scm.in: fixed find-k for band-min != 0; thanks to
	M. Povinelli

2002-12-14  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.scm.in: fix find-k to work for thunk band functions

2002-12-03  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/examples/tri-holes.ctl: added k-interp

2002-12-02  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/examples/hole-slab.ctl: use k-interp param

2002-11-02  Steven G. Johnson  <stevenj@ab-initio>

	* doc/installation.html: typo

2002-10-24  Steven G. Johnson  <stevenj@ab-initio>

	* acx_mpi.m4: check for mpich lib

2002-09-26  Steven G. Johnson  <stevenj@ab-initio>

	* acx_mpi.m4: added whitespace

2002-09-24  Steven G. Johnson  <stevenj@ab-initio>

	* acx_mpi.m4: slight comment fix

	* acx_mpi.m4: fixed punctuation

	* acx_mpi.m4, configure.ac: use new acx_mpi.m4

2002-09-20  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.c: freqs: line should list headings as "k1, k2, k3"
	instead of "kx, ky, kz" since they are in reciprocal-lattice, not
	cartesian, coords.  Thanks to Theis Peter Hanson for the
	suggestion.

2002-09-17  Steven G. Johnson  <stevenj@ab-initio>

	* NEWS, mpb-ctl/epsilon.c: don't resize lattice basis for
	grid-size==1 unless no-size specified; thanks to Tairan Wang

2002-09-15  Steven G. Johnson  <stevenj@ab-initio>

	* NEWS: updated

	* mpb-ctl/epsilon.c, mpb-ctl/field-smob.c, mpb-ctl/fields.c,
	mpb-ctl/mpb.c, mpb-ctl/mpb.h: whoops, take absolute value of Rm
	determinant for volume; thanks to Rumen Iliew for the bug report

2002-09-14  Steven G. Johnson  <stevenj@ab-initio>

	* configure.ac, mpb-ctl/my-smob.h: improved smob
	compatibility...grrr, damn guile

	* mpb-ctl/Makefile.in, src/matrices/Makefile.in,
	src/matrixio/Makefile.in, src/maxwell/Makefile.in,
	src/util/Makefile.in, tests/Makefile.in, utils/Makefile.in: put my
	CPPFLAGS *first*; thanks to Cazimir G. Bostan for the bug report

2002-09-13  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.c: include field-smob.h

	* ChangeLog, NEWS: updated

	* mpb-ctl/field-smob.c: whoops

	* configure.ac, mpb-ctl/my-smob.h: guile-1.3.4 has
	scm_make_smob_type but not SCM_SMOB_PREDICATE (sigh)

	* mpb-ctl/field-smob.c, mpb-ctl/matrix-smob.c: whoops, fix guile
	1.3 smob support

	* NEWS: dated release

	* mpb-ctl/mpb.scm.in: whoops

2002-09-11  Steven G. Johnson  <stevenj@ab-initio>

	* doc/user-ref.html: whoops

	* doc/user-ref.html, mpb-ctl/field-smob.c, mpb-ctl/fields.c,
	mpb-ctl/mpb.scm.in: made Bloch phase handling more sane,
	maybe...maybe I should just bite the bullet and include the phase
	in the loaded fields, at some point?

	* mpb-ctl/fields.c: whoops, no kvector for c fields

	* mpb-ctl/mpb.scm.in, mpb-ctl/my-smob.h: whoops

	* configure.ac: bumped version

	* configure.ac, mpb-ctl/Makefile.in, mpb-ctl/field-smob.c,
	mpb-ctl/field-smob.h, mpb-ctl/matrix-smob.c,
	mpb-ctl/matrix-smob.h, mpb-ctl/my-smob.h, mpb-ctl/smob.h: use new
	Guile smob functions

	* mpb-ctl/mpb.scm.in: whoops

	* NEWS, TODO, doc/index.html, doc/user-ref.html,
	mpb-ctl/matrix-smob.c, mpb-ctl/mpb.scm.in: documented and cleaned
	up new interfaces

2002-09-10  Steven G. Johnson  <stevenj@ab-initio>

	* src/matrixio/evectmatrixio.c: include SCALAR_NUMVALS in c
	dimension, not p dimension

2002-09-06  Steven G. Johnson  <stevenj@ab-initio>

	* ChangeLog: updated

2002-08-27  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/examples/dos.scm: comment

	* mpb-ctl/examples/dos.scm: first arg to interpolate must be
	non-negative

	* mpb-ctl/examples/dos.scm: minor

	* mpb-ctl/examples/dos.scm: fixed hyphenation

	* mpb-ctl/examples/dos.scm: credit Doug

	* mpb-ctl/examples/dos.scm: some fixes

	* mpb-ctl/examples/dos.scm: remove debugging print

	* mpb-ctl/examples/dos.scm: include dos.scm in example doc

	* mpb-ctl/examples/dos.scm: added example density-of-states
	function

2002-06-19  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.scm.in: whoops, find-k was outputting in reverse
	order

2002-06-13  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.scm.in: added find-k routine to solve for k's at a
	given a frequency

	* mpb-ctl/mpb.c: don't print error if randomize-fields is called
	before init-params, so that we can ensure that fields are random
	when calling run-parity without knowing whether run was already
	called.

2002-06-12  Steven G. Johnson  <stevenj@ab-initio>

	* configure.ac: print messages to remind when options like
	--with-inv-symmetry are set

2002-06-11  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/field-smob.c: fixed handling of curfield='-'

2002-06-10  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/fields.c: whoops, fixed field normalization for non-unit
	cells

2002-06-03  Steven G. Johnson  <stevenj@ab-initio>

	* configure.ac: warn if zlib is not found (thanks to Kevin
	Hennessy for the bug report)

2002-04-30  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/fields.c: fixed floating-point error on Alphas for
	homogeneous structures, reported by F. Lopez-Tejeira

2002-04-17  Steven G. Johnson  <stevenj@ab-initio>

	* configure.ac: make sure libctl is an appropriate version; thanks
	to Patricia Max for the suggestion

2002-04-03  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/epsilon.c: fixed error message (--with-hermitian-epsilon
	is not --with-hermitian-eps)

	* mpb-ctl/epsilon.c: fix check of real epsilon-offdiag for
	non-hermitian-eps (thanks to Doug Allan)

2002-03-24  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/field-smob.c: integrate-fields passes position vector

2002-03-23  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/field-smob.c, mpb-ctl/field-smob.h, mpb-ctl/fields.c,
	mpb-ctl/matrix-smob.c, mpb-ctl/matrix-smob.h: added assert_*_smob
	functions to replace SAFE_*, getting rid of many compiler warnings
	as well as CHECK statements

	* mpb-ctl/smob.h: use SCM2PTR, like Guile source, to be safe;
	still doesn't eliminate annoying warnings

	* mpb-ctl/field-smob.c, mpb-ctl/field-smob.h, mpb-ctl/fields.c,
	mpb-ctl/mpb.h, mpb-ctl/mpb.scm.in: fixed whoopses, added
	*-field-get-point (FIXME: handle arbitrary smobs) (FIXME: save k
	in smob?)

	* mpb-ctl/field-smob.c, mpb-ctl/fields.c: checked in fields.c
	(whoops) and RENORMALIZED FIELDS and INTEGRALS: all integrals are
	now integrals and not sums (i.e. we include the dV factor) and
	fields are properly unit-normalized

2002-03-22  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/field-smob.c: whoops

	* mpb-ctl/Makefile.in, mpb-ctl/field-smob.c, mpb-ctl/field-smob.h,
	mpb-ctl/mpb.c, mpb-ctl/mpb.h, mpb-ctl/mpb.scm.in,
	src/util/check.h, src/util/debug_malloc.c: added field-smob

2002-03-21  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/matrix-smob.c: use CHK_MALLOC

	* mpb-ctl/matrix-smob.c: whoops

	* mpb-ctl/matrix-smob.c: allow very small imaginary part in
	scale_eigenvector for mpbi (since we can get this in the
	phase-fixing routines just by fp error)

	* mpb-ctl/mpb.scm.in: get rid of debugging print

	* mpb-ctl/matrix-smob.c: get rid of debugging printf

	* tests/blastest.c: whoops

	* mpb-ctl/Makefile.in, mpb-ctl/epsilon.c, mpb-ctl/matrix-smob.c,
	mpb-ctl/matrix-smob.h, mpb-ctl/mpb.c, mpb-ctl/mpb.h,
	mpb-ctl/mpb.scm.in, mpb-ctl/smob.h, src/matrices/blasglue.c,
	src/matrices/blasglue.h, src/matrices/eigensolver.c,
	src/matrices/evectmatrix.c, src/matrices/matrices.h,
	src/matrices/sqmatrix.c: added evectmatrix/sqmatrix smobs and
	several new functions, split mpb.c source files, mpb-split now
	uses full path...

2002-03-20  Steven G. Johnson  <stevenj@ab-initio>

	* src/maxwell/maxwell_eps.c: fixed Stroud code URL

2002-03-19  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.scm.in: allow-negative-epsilon should use the
	targeted solver

2002-03-14  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/Makefile.in, mpb-ctl/mpb-split.1, mpb-ctl/mpb.1,
	utils/mpb-data.1: man page cleanups, added mpb-split man page

2002-03-13  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/Makefile.in: whoops, slight fix

	* mpb-ctl/Makefile.in: 'make install' (and in particular,
	installing mpb-split) should not write to the source directory.
	(This was biting me on NFS systems where root didn't have write
	access to my home directory.)

	* mpb-ctl/Makefile.in, utils/Makefile.in: use mandir

	* doc/developer.html, doc/license.html: fixed OE url, added bibtex

2002-03-11  Steven G. Johnson  <stevenj@ab-initio>

	* NEWS: S. Lantz is at Cornell, not Corning.

	* doc/license.html: whoops, updated copyright year

2002-03-11  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/epsilon_file.c: included missing header

	* mpb-ctl/epsilon_file.c, mpb-ctl/mpb.c: whoops, slight fix

	* NEWS: added release date

2002-03-10  Steven G. Johnson  <stevenj@ab-initio>

	* doc/analysis-tutorial.html: fixed h5utils URL

2002-03-09  Steven G. Johnson  <stevenj@ab-initio>

	* AUTHORS: added AUTHORS file to be GNU-ly correct

2002-03-08  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.c: use ctl_fix_path on epsilon_input_file in case
	user is running ctl file from another directory (thanks to Alexey
	Yamilov for bugging me)

2002-03-07  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.c: fix typo

	* doc/user-ref.html: noted no-size orthogonality

	* doc/user-ref.html: fixed typo

	* ChangeLog, NEWS, configure.ac: updated version

	* 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.h, src/matrices/eigensolver_davidson.c,
	src/matrices/eigensolver_utils.c, src/matrices/evectmatrix.c,
	src/matrices/linmin.c, src/matrices/linmin.h,
	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.h,
	src/maxwell/maxwell_constraints.c, src/maxwell/maxwell_eps.c,
	src/maxwell/maxwell_op.c, src/maxwell/maxwell_pre.c,
	src/util/check.h, src/util/debug_malloc.c, src/util/mpi_utils.c,
	src/util/mpi_utils.h, src/util/mpiglue.h, tests/blastest.c,
	tests/eigs_test.c, tests/malloctest.c, tests/maxwell_test.c,
	utils/mpb-data.1, utils/mpb-data.c: 2002 copyright year update

	* configure.ac, doc/user-ref.html, mpb-ctl/mpb.c,
	mpb-ctl/mpb.scm.in: use Scheme complex numbers

	* mpb-ctl/mpb.scm.in: made usage of define-property consistent
	with latest rev. of libctl

2002-02-27  Steven G. Johnson  <stevenj@ab-initio>

	* configure.ac: fixed bug in zdotc detection (thanks to Steve
	Lantz)

	* doc/installation.html: Added "Fun with Fortran" section (thanks
	to Steve Lantz for the suggestion).

	* src/maxwell/maxwell_eps.c: Fixed bug that would cause compile
	failure with Fortran compilers using upper case.  (Thanks to Steve
	Lantz of Corning.)

2002-02-25  Steven G. Johnson  <stevenj@ab-initio>

	* acx_lapack.m4: check for lapack_rs6k library name

2002-02-13  Steven G. Johnson  <stevenj@ab-initio>

	* ChangeLog: updated

2002-02-12  Steven G. Johnson  <stevenj@ab-initio>

	* mpb-ctl/mpb.c: fixed (I think) conjugation in field routines...E
	is multiplied by i, so it is conjugated along with H

2002-02-09  Steven G. Johnson  <stevenj@ab-initio>

	* doc/license.html: don't recommend referencing the web site

2002-01-21  Steven G. Johnson  <stevenj@ab-initio>

	* doc/user-ref.html: fixed typo (thanks, Mihai)

2002-01-19  Steven G. Johnson  <stevenj@ab-initio>