#
# ChangeLog for molecuilder/configure.ac
#
# Generated by Trac 1.6
# Dec 8, 2025, 3:10:37 AM

Tue, 10 Nov 2009 20:57:58 GMT Frederik Heber <heber@…> [f28e0c]
	* molecuilder/configure.ac (modified)
	* molecuilder/tests/Makefile.am (modified)
	* molecuilder/tests/Tesselations/1_2-dimethoxyethane.test (added)
	* molecuilder/tests/Tesselations/1_2-dimethoxyethane/1_2-dimethoxyethane.xyz (added)
	* molecuilder/tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat (added)
	* molecuilder/tests/Tesselations/1_2-dimethylbenzene.test (added)
	* molecuilder/tests/Tesselations/1_2-dimethylbenzene/1_2-dimethylbenzene.xyz (added)
	* molecuilder/tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat (added)
	* molecuilder/tests/Tesselations/1_2-dimethylbenzene/tecplot.phy (added)
	* molecuilder/tests/Tesselations/2-methylcyclohexanone.test (added)
	* molecuilder/tests/Tesselations/2-methylcyclohexanone/2-methylcyclohexanone.xyz (added)
	* molecuilder/tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat (added)
	* molecuilder/tests/Tesselations/C16_0-Torus.test (added)
	* molecuilder/tests/Tesselations/C16_0-Torus/C16_0-Torus.xyz (added)
	* molecuilder/tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat (added)
	* molecuilder/tests/Tesselations/Makefile.am (added)
	* molecuilder/tests/Tesselations/N_N-dimethylacetamide.test (added)
	* molecuilder/tests/Tesselations/N_N-dimethylacetamide/N_N-dimethylacetamide.xyz (added)
	* molecuilder/tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat (added)
	* molecuilder/tests/Tesselations/cholesterol.test (added)
	* molecuilder/tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat (added)
	* molecuilder/tests/Tesselations/cholesterol/cholesterol.xyz (added)
	* molecuilder/tests/Tesselations/cluster.test (added)
	* molecuilder/tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat (added)
	* molecuilder/tests/Tesselations/cluster/cluster.dbond (added)
	* molecuilder/tests/Tesselations/cluster/cluster.xyz (added)
	* molecuilder/tests/Tesselations/cycloheptane.test (added)
	* molecuilder/tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat (added)
	* molecuilder/tests/Tesselations/cycloheptane/cycloheptane.xyz (added)
	* molecuilder/tests/Tesselations/dimethyl_bromomalonate.test (added)
	* molecuilder/tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat (added)
	* molecuilder/tests/Tesselations/dimethyl_bromomalonate/dimethyl_bromomalonate.xyz (added)
	* molecuilder/tests/Tesselations/glucose.test (added)
	* molecuilder/tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat (added)
	* molecuilder/tests/Tesselations/glucose/glucose.xyz (added)
	* molecuilder/tests/Tesselations/heptan.test (added)
	* molecuilder/tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat (added)
	* molecuilder/tests/Tesselations/heptan/heptan.xyz (added)
	* molecuilder/tests/Tesselations/isoleucine.test (added)
	* molecuilder/tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat (added)
	* molecuilder/tests/Tesselations/isoleucine/isoleucine.xyz (added)
	* molecuilder/tests/Tesselations/neohexane.test (added)
	* molecuilder/tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat (added)
	* molecuilder/tests/Tesselations/neohexane/neohexane.xyz (added)
	* molecuilder/tests/Tesselations/proline.test (added)
	* molecuilder/tests/Tesselations/proline/NonConvexEnvelope-proline.dat (added)
	* molecuilder/tests/Tesselations/proline/proline.xyz (added)
	* molecuilder/tests/Tesselations/putrescine.test (added)
	* molecuilder/tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat (added)
	* molecuilder/tests/Tesselations/putrescine/putrescine.xyz (added)
	* molecuilder/tests/Tesselations/round_cluster.test (added)
	* molecuilder/tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat (added)
	* molecuilder/tests/Tesselations/round_cluster/round_cluster.dbond (added)
	* molecuilder/tests/Tesselations/round_cluster/round_cluster.xyz (added)
	* molecuilder/tests/Tesselations/tartaric_acid.test (added)
	* molecuilder/tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat (added)
	* molecuilder/tests/Tesselations/tartaric_acid/tartaric_acid.xyz (added)

	Added Tesselation testsets as TESTS to molecuilder.

	- defs.in with ...


Tue, 27 Oct 2009 16:11:22 GMT Frederik Heber <heber@…> [a9b2a0a]
	* molecuilder/configure.ac (modified)
	* molecuilder/src/analysis_correlation.cpp (modified)
	* molecuilder/src/analysis_correlation.hpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/ellipsoid.cpp (modified)
	* molecuilder/src/leastsquaremin.cpp (modified)
	* molecuilder/src/leastsquaremin.hpp (modified)
	* molecuilder/src/linkedcell.cpp (modified)
	* molecuilder/src/linkedcell.hpp (modified)
	* molecuilder/src/molecule.cpp (modified)
	* molecuilder/src/molecule.hpp (modified)
	* molecuilder/src/molecule_geometry.cpp (modified)
	* molecuilder/src/molecule_graph.cpp (modified)
	* molecuilder/src/molecule_pointcloud.cpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/tesselation.hpp (modified)
	* molecuilder/src/tesselationhelpers.cpp (modified)
	* molecuilder/src/tesselationhelpers.hpp (modified)
	* molecuilder/src/unittests/ActOnAllUnitTest.cpp (modified)
	* molecuilder/src/unittests/AnalysisCorrelationToPointUnitTest.cpp (modified)
	* molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp (modified)
	* molecuilder/src/vector.cpp (modified)
	* molecuilder/src/vector.hpp (modified)

	Huge refactoring to make const what is const (ticket #38), continued. ...


Fri, 09 Oct 2009 12:30:54 GMT Frederik Heber <heber@…> [e71890]
	* molecuilder/Makefile.am (modified)
	* molecuilder/configure.ac (modified)
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/analyzer.cpp (modified)
	* molecuilder/src/atom.cpp (modified)
	* molecuilder/src/bond.cpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/helpers.cpp (modified)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/memoryallocator.hpp (modified)
	* molecuilder/src/memoryusageobserver.cpp (modified)
	* molecuilder/src/memoryusageobserver.hpp (modified)
	* molecuilder/src/unittests/ActOnAllUnitTest.cpp (moved)
	* molecuilder/src/unittests/ActOnAllUnitTest.hpp (moved)
	* molecuilder/src/unittests/ActOnAlltest.hpp (moved)
	* molecuilder/src/unittests/Makefile.am (added)
	* molecuilder/src/unittests/memoryallocatorunittest.cpp (moved)
	* molecuilder/src/unittests/memoryallocatorunittest.hpp (moved)
	* molecuilder/src/unittests/memoryusageobserverunittest.cpp (moved)
	* molecuilder/src/unittests/memoryusageobserverunittest.hpp (moved)
	* molecuilder/src/unittests/tesselationunittest.cpp (moved)
	* molecuilder/src/unittests/tesselationunittest.hpp (moved)
	* molecuilder/src/unittests/vectorunittest.cpp (moved)
	* molecuilder/src/unittests/vectorunittest.hpp (moved)

	Merge branch 'new-delete-conversion' into CodeRefactoring
 ...


Wed, 07 Oct 2009 15:35:17 GMT metzler <metzler@…> [afbb6c0]
	* molecuilder/Makefile.am (modified)
	* molecuilder/configure.ac (modified)
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/unittests/Makefile.am (modified)

	Ticket 30: Put molecuilder unit tests in their own subfolder in src


Wed, 07 Oct 2009 15:04:23 GMT Saskia Metzler <metzler@…> [53f32e]
	* molecuilder/configure.ac (modified)
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/helpers.cpp (modified)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/memoryallocator.hpp (modified)
	* molecuilder/src/unittests/Makefile.am (added)
	* molecuilder/src/unittests/memoryallocatorunittest.cpp (moved)
	* molecuilder/src/unittests/memoryallocatorunittest.hpp (moved)
	* molecuilder/src/unittests/memoryusageobserverunittest.cpp (moved)
	* molecuilder/src/unittests/memoryusageobserverunittest.hpp (moved)
	* molecuilder/src/unittests/tesselationunittest.cpp (moved)
	* molecuilder/src/unittests/tesselationunittest.hpp (moved)
	* molecuilder/src/unittests/vectorunittest.cpp (moved)
	* molecuilder/src/unittests/vectorunittest.hpp (moved)

	temp commit


Mon, 05 Oct 2009 18:43:43 GMT Frederik Heber <heber@…> [9c32a1]
	* molecuilder/configure.ac (modified)
	* molecuilder/m4/ax_boost_base.m4 (added)
	* molecuilder/m4/ax_boost_program_options.m4 (added)
	* molecuilder/src/Makefile.am (modified)

	Included BOOST library MPL into autoconf setup.


Tue, 18 Aug 2009 08:48:06 GMT Frederik Heber <heber@…> [da84d6]
	* molecuilder/configure.ac (modified)
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/leastsquaremin.cpp (added)
	* molecuilder/src/leastsquaremin.hpp (added)
	* molecuilder/src/molecules.cpp (modified)
	* molecuilder/src/molecules.hpp (modified)
	* molecuilder/src/tesselation.cpp (modified)
	* molecuilder/src/vector.cpp (modified)
	* molecuilder/src/vector.hpp (modified)
	* molecuilder/src/vectorunittest.cpp (added)
	* molecuilder/src/vectorunittest.hpp (added)

	Incorporation of Unit test on class Vector.

	- new file ...


Thu, 13 Aug 2009 20:30:07 GMT Frederik Heber <heber@…> [ada6d2]
	* molecuilder/configure.ac (modified)
	* molecuilder/doc/Makefile.am (modified)
	* molecuilder/doc/molecuilder.xml.in (added)

	Manpage is created via xmlto with a docbook stylesheet.

	- Hooks in ...


Mon, 09 Feb 2009 17:24:10 GMT Frederik Heber <heber@…> [e08f45]
	* .gitignore (modified)
	* ChangeLog (modified)
	* Makefile.am (modified)
	* configure.ac (modified)
	* m4/ac_doxygen.m4 (modified)
	* m4/acx_compilerflags.m4 (modified)
	* molecuilder/ChangeLog (modified)
	* molecuilder/Makefile.am (modified)
	* molecuilder/configure.ac (modified)
	* molecuilder/doc/Doxyfile (modified)
	* molecuilder/doc/Makefile.am (modified)
	* molecuilder/m4/ac_doxygen.m4 (modified)
	* molecuilder/m4/acx_compilerflags.m4 (modified)
	* molecuilder/src/.#border.cpp (deleted)
	* molecuilder/src/.#molecules.hpp (deleted)
	* molecuilder/src/Hbondangle.db (modified)
	* molecuilder/src/Hbonddistance.db (modified)
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/analyzer.cpp (modified)
	* molecuilder/src/atom.cpp (modified)
	* molecuilder/src/bond.cpp (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/builder.cpp (modified)
	* molecuilder/src/config.cpp (modified)
	* molecuilder/src/datacreator.cpp (modified)
	* molecuilder/src/datacreator.hpp (modified)
	* molecuilder/src/defs.hpp (modified)
	* molecuilder/src/element.cpp (modified)
	* molecuilder/src/elements.db (modified)
	* molecuilder/src/ellipsoid.cpp (added)
	* molecuilder/src/ellipsoid.hpp (added)
	* molecuilder/src/graph.cpp (modified)
	* molecuilder/src/helpers.cpp (modified)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/joiner.cpp (modified)
	* molecuilder/src/linkedcell.cpp (modified)
	* molecuilder/src/linkedcell.hpp (modified)
	* molecuilder/src/moleculelist.cpp (modified)
	* molecuilder/src/molecules.cpp (modified)
	* molecuilder/src/molecules.hpp (modified)
	* molecuilder/src/orbitals.db (modified)
	* molecuilder/src/parser.cpp (modified)
	* molecuilder/src/parser.hpp (modified)
	* molecuilder/src/periodentafel.cpp (modified)
	* molecuilder/src/periodentafel.hpp (modified)
	* molecuilder/src/stackclass.hpp (modified)
	* molecuilder/src/valence.db (modified)
	* molecuilder/src/vector.cpp (modified)
	* molecuilder/src/vector.hpp (modified)
	* molecuilder/src/verbose.cpp (modified)
	* molecuilder/tests/Makefile.am (modified)
	* molecuilder/tests/atlocal.in (modified)
	* molecuilder/tests/molecuilder.in (modified)
	* molecuilder/tests/testsuite.at (modified)
	* pcp/ChangeLog (modified)
	* pcp/Makefile.am (modified)
	* pcp/configure.ac (modified)
	* pcp/doc/Doxyfile (modified)
	* pcp/doc/Makefile.am (modified)
	* pcp/m4/ac_doxygen.m4 (modified)
	* pcp/m4/acx_compilerflags.m4 (modified)
	* pcp/m4/acx_mpi.m4 (modified)
	* pcp/pseudopot/pseudo.01 (modified)
	* pcp/pseudopot/pseudo.02 (modified)
	* pcp/pseudopot/pseudo.03 (modified)
	* pcp/pseudopot/pseudo.04 (modified)
	* pcp/pseudopot/pseudo.05 (modified)
	* pcp/pseudopot/pseudo.06 (modified)
	* pcp/pseudopot/pseudo.07 (modified)
	* pcp/pseudopot/pseudo.08 (modified)
	* pcp/pseudopot/pseudo.09 (modified)
	* pcp/pseudopot/pseudo.10 (modified)
	* pcp/pseudopot/pseudo.11 (modified)
	* pcp/pseudopot/pseudo.12 (modified)
	* pcp/pseudopot/pseudo.13 (modified)
	* pcp/pseudopot/pseudo.14 (modified)
	* pcp/pseudopot/pseudo.15 (modified)
	* pcp/pseudopot/pseudo.16 (modified)
	* pcp/pseudopot/pseudo.17 (modified)
	* pcp/pseudopot/pseudo.18 (modified)
	* pcp/pseudopot/pseudo.19 (modified)
	* pcp/pseudopot/pseudo.20 (modified)
	* pcp/pseudopot/pseudo.21 (modified)
	* pcp/pseudopot/pseudo.22 (modified)
	* pcp/pseudopot/pseudo.23 (modified)
	* pcp/pseudopot/pseudo.24 (modified)
	* pcp/pseudopot/pseudo.25 (modified)
	* pcp/pseudopot/pseudo.26 (modified)
	* pcp/pseudopot/pseudo.27 (modified)
	* pcp/pseudopot/pseudo.28 (modified)
	* pcp/pseudopot/pseudo.29 (modified)
	* pcp/pseudopot/pseudo.30 (modified)
	* pcp/pseudopot/pseudo.31 (modified)
	* pcp/pseudopot/pseudo.32 (modified)
	* pcp/pseudopot/pseudo.33 (modified)
	* pcp/pseudopot/pseudo.34 (modified)
	* pcp/pseudopot/pseudo.35 (modified)
	* pcp/pseudopot/pseudo.36 (modified)
	* pcp/pseudopot/pseudo.37 (modified)
	* pcp/pseudopot/pseudo.38 (modified)
	* pcp/pseudopot/pseudo.39 (modified)
	* pcp/pseudopot/pseudo.40 (modified)
	* pcp/pseudopot/pseudo.41 (modified)
	* pcp/pseudopot/pseudo.42 (modified)
	* pcp/pseudopot/pseudo.43 (modified)
	* pcp/pseudopot/pseudo.44 (modified)
	* pcp/pseudopot/pseudo.45 (modified)
	* pcp/pseudopot/pseudo.46 (modified)
	* pcp/pseudopot/pseudo.47 (modified)
	* pcp/pseudopot/pseudo.48 (modified)
	* pcp/pseudopot/pseudo.49 (modified)
	* pcp/pseudopot/pseudo.50 (modified)
	* pcp/pseudopot/pseudo.51 (modified)
	* pcp/pseudopot/pseudo.52 (modified)
	* pcp/pseudopot/pseudo.53 (modified)
	* pcp/pseudopot/pseudo.54 (modified)
	* pcp/pseudopot/pseudo.55 (modified)
	* pcp/pseudopot/pseudo.56 (modified)
	* pcp/pseudopot/pseudo.72 (modified)
	* pcp/pseudopot/pseudo.73 (modified)
	* pcp/pseudopot/pseudo.74 (modified)
	* pcp/pseudopot/pseudo.75 (modified)
	* pcp/pseudopot/pseudo.76 (modified)
	* pcp/pseudopot/pseudo.77 (modified)
	* pcp/pseudopot/pseudo.78 (modified)
	* pcp/pseudopot/pseudo.79 (modified)
	* pcp/pseudopot/pseudo.80 (modified)
	* pcp/src/Makefile.am (modified)
	* pcp/src/data.h (modified)
	* pcp/src/defs.h (modified)
	* pcp/src/density.c (modified)
	* pcp/src/density.h (modified)
	* pcp/src/energy.c (modified)
	* pcp/src/energy.h (modified)
	* pcp/src/errors.c (modified)
	* pcp/src/errors.h (modified)
	* pcp/src/excor.c (modified)
	* pcp/src/excor.h (modified)
	* pcp/src/grad.c (modified)
	* pcp/src/grad.h (modified)
	* pcp/src/gramsch.c (modified)
	* pcp/src/gramsch.h (modified)
	* pcp/src/helpers.c (modified)
	* pcp/src/helpers.h (modified)
	* pcp/src/init.c (modified)
	* pcp/src/init.h (modified)
	* pcp/src/ions.c (modified)
	* pcp/src/ions.h (modified)
	* pcp/src/mergesort2.c (modified)
	* pcp/src/mergesort2.h (modified)
	* pcp/src/myfft.c (modified)
	* pcp/src/myfft.h (modified)
	* pcp/src/mymath.c (modified)
	* pcp/src/mymath.h (modified)
	* pcp/src/opt.c (modified)
	* pcp/src/opt.h (modified)
	* pcp/src/output.c (modified)
	* pcp/src/output.h (modified)
	* pcp/src/parsetest.c (modified)
	* pcp/src/pcp.c (modified)
	* pcp/src/pcp.h (modified)
	* pcp/src/pdbformat.c (modified)
	* pcp/src/pdbformat.h (modified)
	* pcp/src/perturbed.c (modified)
	* pcp/src/perturbed.h (modified)
	* pcp/src/pseudo.c (modified)
	* pcp/src/pseudo.h (modified)
	* pcp/src/riemann.c (modified)
	* pcp/src/riemann.h (modified)
	* pcp/src/run.c (modified)
	* pcp/src/run.h (modified)
	* pcp/src/test.c (modified)
	* pcp/src/wannier.c (modified)
	* pcp/src/wannier.h (modified)
	* pcp/tests/Makefile.am (modified)
	* pcp/tests/atlocal.in (modified)
	* pcp/tests/pcp.in (modified)
	* pcp/tests/testsuite.at (modified)
	* util/ChangeLog (modified)
	* util/Makefile.am (modified)
	* util/configure.ac (modified)
	* util/doc/Doxyfile (modified)
	* util/doc/Makefile.am (modified)
	* util/m4/ac_doxygen.m4 (modified)
	* util/m4/acx_compilerflags.m4 (modified)
	* util/specvisual.cfg (modified)
	* util/specvisual.net (modified)
	* util/specvisualOnly.net (modified)
	* util/src/CreateGaAs.c (modified)
	* util/src/CreateH2.c (modified)
	* util/src/GetPdb.c (modified)
	* util/src/Makefile.am (modified)
	* util/src/NanoCreator.c (modified)
	* util/src/NanoCreator.h (modified)
	* util/src/ReadSrcIon.c (modified)
	* util/src/VibrAlyzer.c (modified)
	* util/src/average.cpp (modified)
	* util/src/diagonalize.c (modified)
	* util/src/mergesort.c (modified)
	* util/src/mergesort.h (modified)
	* util/src/stochastik.cpp (modified)
	* util/suffix (modified)
	* util/tests/Makefile.am (modified)
	* util/tests/NanoCreator.in (modified)
	* util/tests/atlocal.in (modified)
	* util/tests/testsuite.at (modified)
	* util/visual.cfg (modified)
	* util/visual.net (modified)
	* util/visualOnly.net (modified)

	Merge branch 'ConcaveHull' of ../espack2 into ConcaveHull
 ...


Tue, 16 Dec 2008 18:39:28 GMT Christian Neuen <neuen@…> [313dff]
	* molecuilder/configure.ac (modified)
	* molecuilder/src/boundary.cpp (modified)
	* molecuilder/src/boundary.hpp (modified)
	* molecuilder/src/vector.cpp (modified)
	* molecuilder/src/vector.hpp (modified)
	* pcp/configure.ac (modified)
	* util/configure.ac (modified)

	Tesselation starts to look good, minor discrepancies are still there ...


Tue, 09 Sep 2008 07:46:15 GMT Frederik Heber <heber@…> [ec4e84]
	* molecuilder/configure.ac (modified)
	* pcp/configure.ac (modified)
	* util/configure.ac (modified)

	configure BUGFIX: GSL may be linked against cblas_... functions or ...


Sat, 07 Jun 2008 13:16:19 GMT Frederik Heber <heber@…> [02bc3c]
	* molecuilder/configure.ac (modified)
	* molecuilder/m4/ac_doxygen.m4 (modified)
	* molecuilder/m4/acx_compilerflags.m4 (added)
	* pcp/configure.ac (modified)
	* pcp/m4/ac_doxygen.m4 (modified)
	* pcp/m4/acx_compilerflags.m4 (added)
	* util/configure.ac (modified)
	* util/m4/ac_doxygen.m4 (modified)
	* util/m4/acx_compilerflags.m4 (added)

	new aclocal macro with controles all the enable- ...


Fri, 30 May 2008 15:48:16 GMT Frederik Heber <heber@…> [807e8a]
	* molecuilder/configure.ac (modified)
	* pcp/configure.ac (modified)
	* pcp/src/perturbed.c (modified)

	libblas needed for libgsl is now found via AC_SEARCH_LIB and list ...


Fri, 30 May 2008 13:50:45 GMT Frederik Heber <heber@…> [bdba3c]
	* molecuilder/configure.ac (modified)
	* molecuilder/src/Makefile.am (modified)
	* pcp/README (modified)
	* pcp/configure.ac (modified)
	* pcp/src/Makefile.am (modified)
	* util/Makefile.am (modified)
	* util/configure.ac (modified)

	AM_CFLAGS thrown out as warnings are added to CFLAGS in configure- ...


Sun, 27 Apr 2008 13:04:01 GMT Frederik Heber <heber@…> [b5279f0]
	* molecuilder/Makefile.am (modified)
	* molecuilder/configure.ac (modified)
	* pcp/Makefile.am (modified)
	* pcp/configure.ac (modified)
	* util/Makefile.am (modified)
	* util/configure.ac (modified)

	Complete test kit (make check) for the three parts: pcp, molecuilder, ...


Fri, 25 Apr 2008 10:29:18 GMT Frederik Heber <heber@…> [201832]
	* molecuilder/configure.ac (modified)
	* pcp/configure.ac (modified)

	normal blas (e.g. prefered gotoblas) instead of gslcblas is used in ...


Thu, 24 Apr 2008 16:59:35 GMT Frederik Heber <heber@…> [bd7b85]
	* molecuilder/configure.ac (modified)
	* pcp/configure.ac (modified)
	* util/configure.ac (modified)

	AC_MSG_WARN if both optimization and debug present removed

	As ...


Thu, 24 Apr 2008 13:52:02 GMT Frederik Heber <heber@…> [da83f8]
	* Makefile.am (modified)
	* molecuilder/configure.ac (modified)
	* molecuilder/src/Makefile.am (modified)
	* molecuilder/src/helpers.cpp (modified)
	* molecuilder/src/helpers.hpp (modified)
	* molecuilder/src/molecules.cpp (modified)
	* pcp/Makefile.am (modified)
	* pcp/configure.ac (modified)
	* pcp/src/Makefile.am (modified)
	* pcp/src/Makefile.in (modified)
	* pcp/src/helpers.h (modified)
	* util/Makefile.am (modified)
	* util/configure.ac (modified)

	added --enable-optimization, thrown -g -O specifics out of ...


Fri, 18 Apr 2008 11:26:42 GMT Frederik Heber <heber@…> [a0bcf1]
	* AUTHORS (added)
	* COPYING (added)
	* ChangeLog (added)
	* Makefile.am (added)
	* NEWS (added)
	* README (added)
	* autogen.sh (added)
	* configure.ac (added)
	* molecuilder/AUTHORS (added)
	* molecuilder/ChangeLog (added)
	* molecuilder/Makefile.am (added)
	* molecuilder/NEWS (added)
	* molecuilder/README (added)
	* molecuilder/autogen.sh (added)
	* molecuilder/configure.ac (added)
	* molecuilder/doc/Doxyfile (added)
	* molecuilder/doc/Makefile.am (added)
	* molecuilder/m4/ac_doxygen.m4 (added)
	* molecuilder/src/Hbondangle.db (added)
	* molecuilder/src/Hbonddistance.db (added)
	* molecuilder/src/Makefile.am (added)
	* molecuilder/src/analyzer.cpp (added)
	* molecuilder/src/atom.cpp (added)
	* molecuilder/src/bond.cpp (added)
	* molecuilder/src/builder.cpp (added)
	* molecuilder/src/config.cpp (added)
	* molecuilder/src/datacreator.cpp (added)
	* molecuilder/src/datacreator.hpp (added)
	* molecuilder/src/defs.hpp (added)
	* molecuilder/src/element.cpp (added)
	* molecuilder/src/elements.db (added)
	* molecuilder/src/graph.cpp (added)
	* molecuilder/src/helpers.cpp (added)
	* molecuilder/src/helpers.hpp (added)
	* molecuilder/src/joiner.cpp (added)
	* molecuilder/src/moleculelist.cpp (added)
	* molecuilder/src/molecules.cpp (added)
	* molecuilder/src/molecules.hpp (added)
	* molecuilder/src/orbitals.db (added)
	* molecuilder/src/parser.cpp (added)
	* molecuilder/src/parser.hpp (added)
	* molecuilder/src/periodentafel.cpp (added)
	* molecuilder/src/valence.db (added)
	* molecuilder/src/vector.cpp (added)
	* molecuilder/src/verbose.cpp (added)
	* pcp/AUTHORS (added)
	* pcp/CHANGES (added)
	* pcp/ChangeLog (added)
	* pcp/Makefile.am (added)
	* pcp/NEWS (added)
	* pcp/README (added)
	* pcp/autogen.sh (added)
	* pcp/configure.ac (added)
	* pcp/doc/Doxyfile (added)
	* pcp/doc/Makefile.am (added)
	* pcp/m4/ac_doxygen.m4 (added)
	* pcp/m4/acx_mpi.m4 (added)
	* pcp/src/Makefile.am (added)
	* pcp/src/Makefile.in (added)
	* pcp/src/data.h (added)
	* pcp/src/defs.h (added)
	* pcp/src/density.c (added)
	* pcp/src/density.h (added)
	* pcp/src/energy.c (added)
	* pcp/src/energy.h (added)
	* pcp/src/errors.c (added)
	* pcp/src/errors.h (added)
	* pcp/src/excor.c (added)
	* pcp/src/excor.h (added)
	* pcp/src/grad.c (added)
	* pcp/src/grad.h (added)
	* pcp/src/gramsch.c (added)
	* pcp/src/gramsch.h (added)
	* pcp/src/helpers.c (added)
	* pcp/src/helpers.h (added)
	* pcp/src/init.c (added)
	* pcp/src/init.h (added)
	* pcp/src/ions.c (added)
	* pcp/src/ions.h (added)
	* pcp/src/mergesort2.c (added)
	* pcp/src/mergesort2.h (added)
	* pcp/src/myfft.c (added)
	* pcp/src/myfft.h (added)
	* pcp/src/mymath.c (added)
	* pcp/src/mymath.h (added)
	* pcp/src/opt.c (added)
	* pcp/src/opt.h (added)
	* pcp/src/output.c (added)
	* pcp/src/output.h (added)
	* pcp/src/parsetest.c (added)
	* pcp/src/pcp.c (added)
	* pcp/src/pcp.h (added)
	* pcp/src/pdbformat.c (added)
	* pcp/src/pdbformat.h (added)
	* pcp/src/perturbed.c (added)
	* pcp/src/perturbed.h (added)
	* pcp/src/pseudo.c (added)
	* pcp/src/pseudo.h (added)
	* pcp/src/riemann.c (added)
	* pcp/src/riemann.h (added)
	* pcp/src/run.c (added)
	* pcp/src/run.h (added)
	* pcp/src/test.c (added)
	* pcp/src/wannier.c (added)
	* pcp/src/wannier.h (added)
	* util/AUTHORS (added)
	* util/BOSSEvaluate.pl.in (added)
	* util/ChangeLog (added)
	* util/CreateFromXYZ.sh (added)
	* util/CreateGaAs.c (added)
	* util/CreateH2.c (added)
	* util/GetPdb.c (added)
	* util/Makefile.am (added)
	* util/NEWS (added)
	* util/NanoCreator.c (added)
	* util/NanoCreator.h (added)
	* util/Nanotubes.pl.in (added)
	* util/README (added)
	* util/ReSequenceDX.pl.in (added)
	* util/ReadSrcIon.c (added)
	* util/VibrAlyzer.c (added)
	* util/autogen.sh (added)
	* util/average.cpp (added)
	* util/average_result.sh (added)
	* util/compile (added)
	* util/config2xyz.sh (added)
	* util/configure.ac (added)
	* util/convert2old.sh (added)
	* util/convertpdb.sh (added)
	* util/depcomp (added)
	* util/doc/Doxyfile (added)
	* util/doc/Makefile.am (added)
	* util/gather_all_results.sh (added)
	* util/gather_averaged_results.sh (added)
	* util/gather_result.sh (added)
	* util/grep_shielding.sh (added)
	* util/install-sh (added)
	* util/m4/ac_doxygen.m4 (added)
	* util/meas2pdb.sh (added)
	* util/mergesort.c (added)
	* util/mergesort.h (added)
	* util/specvisual.cfg (added)
	* util/specvisual.net (added)
	* util/specvisualOnly.net (added)
	* util/stochastik.cpp (added)
	* util/suffix (added)
	* util/visual.cfg (added)
	* util/visual.net (added)
	* util/visualOnly.net (added)

	-initial commit
	-Minimum set of files needed from ESPACK SVN ...