544 lines
18 KiB
Text
544 lines
18 KiB
Text
bin/ccdensity
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bin/ccenergy
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bin/cceom
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bin/cceom-d
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bin/cchbar
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bin/cclambda
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bin/ccresponse
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bin/ccsort
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bin/cctriples
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bin/cints
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bin/cis
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bin/clag
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bin/cphf
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bin/cscf
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bin/dboc
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bin/detcas
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bin/detcasman
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bin/detci
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bin/extrema
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bin/geom
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bin/input
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bin/localize
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bin/mocube
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bin/mp2
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bin/mp2r12
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bin/oeprop
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bin/optking
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bin/psi2molden
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bin/psi3
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bin/psiclean
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bin/response
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bin/stable
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bin/tocprint
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bin/transqt
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include/ccfiles.h
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include/chkpt_params.h
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include/libbasis/basisset.h
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include/libbasis/combinate.h
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include/libbasis/gnorm.h
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include/libbasis/osrecur.h
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include/libbasis/overlap.h
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include/libbasis/rotation.h
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include/libbasis/shell.h
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include/libchkpt/chkpt.h
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include/libciomr/iomrparam.h
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include/libciomr/libciomr.h
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include/libderiv/libderiv.h
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include/libdpd/dpd.h
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include/libint/hrr_header.h
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include/libint/libint.h
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include/libint/vrr_header.h
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include/libipv1/ip_alloc.gbl
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include/libipv1/ip_cwk.gbl
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include/libipv1/ip_data.gbl
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include/libipv1/ip_error.gbl
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include/libipv1/ip_error.h
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include/libipv1/ip_global.h
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include/libipv1/ip_karray.gbl
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include/libipv1/ip_lib.h
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include/libipv1/ip_print.gbl
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include/libipv1/ip_read.gbl
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include/libipv1/ip_types.h
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include/libipv1/scan.gbl
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include/libipv1/tmpl.h
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include/libipv1/y.tab.gbl
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include/libiwl/iwl.h
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include/libpsio/psio.gbl
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include/libpsio/psio.h
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include/libqt/qt.h
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include/libr12/libr12.h
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include/masses.h
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include/physconst.h
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include/psifiles.h
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include/psitypes.h
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include/rgb.h
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include/symmetry.h
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include/vdw_radii.h
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lib/libPSI_basis.a
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lib/libPSI_chkpt.a
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lib/libPSI_ciomr.a
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lib/libPSI_deriv.a
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lib/libPSI_dpd.a
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lib/libPSI_int.a
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lib/libPSI_ipv1.a
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lib/libPSI_iwl.a
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lib/libPSI_psio.a
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lib/libPSI_qt.a
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lib/libPSI_r12.a
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@dirrm include/libr12
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@dirrm include/libqt
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@dirrm include/libpsio
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@dirrm include/libiwl
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@dirrm include/libipv1
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@dirrm include/libint
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@dirrm include/libdpd
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@dirrm include/libderiv
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@dirrm include/libciomr
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@dirrm include/libchkpt
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@dirrm include/libbasis
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%%PORTDOCS%%share/psi3/pbasis.dat
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%%PORTDOCS%%share/psi3/psi.dat
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%%PORTDOCS%%%%DOCSDIR%%/libpsio.html
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%%PORTDOCS%%%%DOCSDIR%%/libdpd.html
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%%PORTDOCS%%%%DOCSDIR%%/cints.html
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%%PORTDOCS%%%%DOCSDIR%%/CINTS/commandline.html
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%%PORTDOCS%%%%DOCSDIR%%/CINTS/compile.html
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%%PORTDOCS%%%%DOCSDIR%%/CINTS/description.html
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%%PORTDOCS%%%%DOCSDIR%%/CINTS/examples.html
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%%PORTDOCS%%%%DOCSDIR%%/CINTS/home.html
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%%PORTDOCS%%%%DOCSDIR%%/CINTS/keywords.html
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%%PORTDOCS%%%%DOCSDIR%%/CINTS/references.html
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%%PORTDOCS%%%%DOCSDIR%%/CINTS/toc.html
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%%PORTDOCS%%%%DOCSDIR%%/libqt.txt
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%%PORTDOCS%%%%DOCSDIR%%/libiwl.txt
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%%PORTDOCS%%%%DOCSDIR%%/installation.pdf
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%%PORTDOCS%%%%DOCSDIR%%/userman.pdf
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%%PORTDOCS%%%%DOCSDIR%%/progman.pdf
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%%PORTDOCS%%@dirrm share/doc/psi3/CINTS
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%%PORTDOCS%%@dirrm %%DOCSDIR%%
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%%EXAMPLESDIR%%/MakeRules.in
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%%EXAMPLESDIR%%/INDEX
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%%EXAMPLESDIR%%/Basis_Tests/Benchmarks
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%%EXAMPLESDIR%%/Basis_Tests/input.dat
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%%EXAMPLESDIR%%/Basis_Tests/psi_test.pl
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%%EXAMPLESDIR%%/Basis_Tests/standard.input
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%%EXAMPLESDIR%%/MakeVars.in
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%%EXAMPLESDIR%%/Makefile.in
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%%EXAMPLESDIR%%/driver.test.pl
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%%EXAMPLESDIR%%/psitest.pl
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%%EXAMPLESDIR%%/runtest.pl.in
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%%EXAMPLESDIR%%/casscf-sp/Makefile.in
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%%EXAMPLESDIR%%/casscf-sp/casscf-sp.test.pl
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%%EXAMPLESDIR%%/casscf-sp/file14.ref
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%%EXAMPLESDIR%%/casscf-sp/input.dat
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%%EXAMPLESDIR%%/casscf-sp/output.ref
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%%EXAMPLESDIR%%/casscf-sp/Makefile
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%%EXAMPLESDIR%%/cc1/Makefile.in
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%%EXAMPLESDIR%%/cc1/cc1.test.pl
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%%EXAMPLESDIR%%/cc1/file11.ref
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%%EXAMPLESDIR%%/cc1/input.dat
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%%EXAMPLESDIR%%/cc1/output.ref
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%%EXAMPLESDIR%%/cc1/Makefile
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%%EXAMPLESDIR%%/cc10/Makefile.in
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%%EXAMPLESDIR%%/cc10/cc10.test.pl
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%%EXAMPLESDIR%%/cc10/input.dat
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%%EXAMPLESDIR%%/cc10/output.ref
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%%EXAMPLESDIR%%/cc10/Makefile
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%%EXAMPLESDIR%%/cc11/Makefile.in
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%%EXAMPLESDIR%%/cc11/cc11.test.pl
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%%EXAMPLESDIR%%/cc11/input.dat
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%%EXAMPLESDIR%%/cc11/output.ref
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%%EXAMPLESDIR%%/cc11/Makefile
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%%EXAMPLESDIR%%/cc12/Makefile.in
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%%EXAMPLESDIR%%/cc12/cc12.test.pl
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%%EXAMPLESDIR%%/cc12/input.dat
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%%EXAMPLESDIR%%/cc12/output.ref
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%%EXAMPLESDIR%%/cc12/Makefile
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%%EXAMPLESDIR%%/cc13/Makefile.in
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%%EXAMPLESDIR%%/cc13/cc13.test.pl
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%%EXAMPLESDIR%%/cc13/file11.ref
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%%EXAMPLESDIR%%/cc13/input.dat
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%%EXAMPLESDIR%%/cc13/output.ref
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%%EXAMPLESDIR%%/cc13/Makefile
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%%EXAMPLESDIR%%/cc14/Makefile.in
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%%EXAMPLESDIR%%/cc14/cc14.test.pl
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%%EXAMPLESDIR%%/cc14/file11.ref
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%%EXAMPLESDIR%%/cc14/input.dat
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%%EXAMPLESDIR%%/cc14/output.ref
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%%EXAMPLESDIR%%/cc14/Makefile
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%%EXAMPLESDIR%%/cc15/Makefile.in
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%%EXAMPLESDIR%%/cc15/cc15.test.pl
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%%EXAMPLESDIR%%/cc15/input.dat
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%%EXAMPLESDIR%%/cc15/output.ref
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%%EXAMPLESDIR%%/cc15/Makefile
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%%EXAMPLESDIR%%/cc16/Makefile.in
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%%EXAMPLESDIR%%/cc16/cc16.test.pl
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%%EXAMPLESDIR%%/cc16/input.dat
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%%EXAMPLESDIR%%/cc16/output.ref
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%%EXAMPLESDIR%%/cc16/Makefile
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%%EXAMPLESDIR%%/cc17/Makefile.in
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%%EXAMPLESDIR%%/cc17/cc17.test.pl
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%%EXAMPLESDIR%%/cc17/input.dat
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%%EXAMPLESDIR%%/cc17/output.ref
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%%EXAMPLESDIR%%/cc17/Makefile
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%%EXAMPLESDIR%%/cc18/Makefile.in
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%%EXAMPLESDIR%%/cc18/cc18.test.pl
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%%EXAMPLESDIR%%/cc18/input.dat
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%%EXAMPLESDIR%%/cc18/output.ref
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%%EXAMPLESDIR%%/cc18/Makefile
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%%EXAMPLESDIR%%/cc19/Makefile.in
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%%EXAMPLESDIR%%/cc19/cc19.test.pl
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%%EXAMPLESDIR%%/cc19/input.dat
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%%EXAMPLESDIR%%/cc19/output.ref
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%%EXAMPLESDIR%%/cc19/Makefile
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%%EXAMPLESDIR%%/cc2/Makefile.in
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%%EXAMPLESDIR%%/cc2/cc2.test.pl
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%%EXAMPLESDIR%%/cc2/file11.ref
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%%EXAMPLESDIR%%/cc2/input.dat
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%%EXAMPLESDIR%%/cc2/output.ref
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%%EXAMPLESDIR%%/cc2/Makefile
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%%EXAMPLESDIR%%/cc3/Makefile.in
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%%EXAMPLESDIR%%/cc3/cc3.test.pl
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%%EXAMPLESDIR%%/cc3/file11.ref
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%%EXAMPLESDIR%%/cc3/input.dat
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%%EXAMPLESDIR%%/cc3/output.ref
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%%EXAMPLESDIR%%/cc3/Makefile
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%%EXAMPLESDIR%%/cc4/Makefile.in
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%%EXAMPLESDIR%%/cc4/cc4.test.pl
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%%EXAMPLESDIR%%/cc4/input.dat
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%%EXAMPLESDIR%%/cc4/output.ref
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%%EXAMPLESDIR%%/cc4/Makefile
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%%EXAMPLESDIR%%/cc5/Makefile.in
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%%EXAMPLESDIR%%/cc5/cc5.test.pl
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%%EXAMPLESDIR%%/cc5/filesizes
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%%EXAMPLESDIR%%/cc5/input.dat
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%%EXAMPLESDIR%%/cc5/output.ref
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%%EXAMPLESDIR%%/cc5/Makefile
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%%EXAMPLESDIR%%/cc6/Makefile.in
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%%EXAMPLESDIR%%/cc6/cc6.test.pl
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%%EXAMPLESDIR%%/cc6/input.dat
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%%EXAMPLESDIR%%/cc6/output.ref
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%%EXAMPLESDIR%%/cc6/Makefile
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%%EXAMPLESDIR%%/cc7/Makefile.in
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%%EXAMPLESDIR%%/cc7/cc7.test.pl
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%%EXAMPLESDIR%%/cc7/input.dat
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%%EXAMPLESDIR%%/cc7/output.ref
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%%EXAMPLESDIR%%/cc7/Makefile
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%%EXAMPLESDIR%%/cc8/Makefile.in
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%%EXAMPLESDIR%%/cc8/cc8.test.pl
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%%EXAMPLESDIR%%/cc8/input.dat
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%%EXAMPLESDIR%%/cc8/output.ref
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%%EXAMPLESDIR%%/cc8/Makefile
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%%EXAMPLESDIR%%/cc9/Makefile.in
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%%EXAMPLESDIR%%/cc9/cc9.test.pl
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%%EXAMPLESDIR%%/cc9/input.dat
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%%EXAMPLESDIR%%/cc9/output.ref
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%%EXAMPLESDIR%%/cc9/Makefile
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%%EXAMPLESDIR%%/cis-sp/Makefile.in
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%%EXAMPLESDIR%%/cis-sp/cis-sp.test.pl
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%%EXAMPLESDIR%%/cis-sp/input.dat
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%%EXAMPLESDIR%%/cis-sp/output.ref
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%%EXAMPLESDIR%%/cis-sp/Makefile
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%%EXAMPLESDIR%%/cisd-sp/Makefile.in
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%%EXAMPLESDIR%%/cisd-sp/cisd-sp.test.pl
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%%EXAMPLESDIR%%/cisd-sp/input.dat
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%%EXAMPLESDIR%%/cisd-sp/output.ref
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%%EXAMPLESDIR%%/cisd-sp/Makefile
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%%EXAMPLESDIR%%/cisd-opt-numer/Makefile.in
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%%EXAMPLESDIR%%/cisd-opt-numer/cisd-opt-numer.test.pl
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%%EXAMPLESDIR%%/cisd-opt-numer/file11.ref
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%%EXAMPLESDIR%%/cisd-opt-numer/input.dat
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%%EXAMPLESDIR%%/cisd-opt-numer/output.ref
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%%EXAMPLESDIR%%/cisd-opt-numer/Makefile
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%%EXAMPLESDIR%%/dboc-rcisd1/Makefile.in
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%%EXAMPLESDIR%%/dboc-rcisd1/dboc-rcisd1.test.pl
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%%EXAMPLESDIR%%/dboc-rcisd1/input.dat
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%%EXAMPLESDIR%%/dboc-rcisd1/output.ref
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%%EXAMPLESDIR%%/dboc-rcisd1/Makefile
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%%EXAMPLESDIR%%/dboc-rhf1/Makefile.in
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%%EXAMPLESDIR%%/dboc-rhf1/dboc-rhf1.test.pl
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%%EXAMPLESDIR%%/dboc-rhf1/input.dat
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%%EXAMPLESDIR%%/dboc-rhf1/output.ref
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%%EXAMPLESDIR%%/dboc-rhf1/Makefile
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%%EXAMPLESDIR%%/dboc-rocisd1/Makefile.in
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%%EXAMPLESDIR%%/dboc-rocisd1/dboc-rocisd1.test.pl
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%%EXAMPLESDIR%%/dboc-rocisd1/input.dat
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%%EXAMPLESDIR%%/dboc-rocisd1/output.ref
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%%EXAMPLESDIR%%/dboc-rocisd1/Makefile
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%%EXAMPLESDIR%%/dboc-rohf1/Makefile.in
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%%EXAMPLESDIR%%/dboc-rohf1/dboc-rohf1.test.pl
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%%EXAMPLESDIR%%/dboc-rohf1/input.dat
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%%EXAMPLESDIR%%/dboc-rohf1/output.ref
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%%EXAMPLESDIR%%/dboc-rohf1/Makefile
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%%EXAMPLESDIR%%/dboc-uhf1/Makefile.in
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%%EXAMPLESDIR%%/dboc-uhf1/dboc-uhf1.test.pl
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%%EXAMPLESDIR%%/dboc-uhf1/input.dat
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%%EXAMPLESDIR%%/dboc-uhf1/output.ref
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%%EXAMPLESDIR%%/dboc-uhf1/Makefile
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%%EXAMPLESDIR%%/extrema-deloc/Makefile.in
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%%EXAMPLESDIR%%/extrema-deloc/extrema-deloc.pl.in
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%%EXAMPLESDIR%%/extrema-deloc/extrema-deloc.test.pl
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%%EXAMPLESDIR%%/extrema-deloc/file11.ref
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%%EXAMPLESDIR%%/extrema-deloc/input.dat
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%%EXAMPLESDIR%%/extrema-deloc/output.ref
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%%EXAMPLESDIR%%/extrema-deloc/Makefile
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%%EXAMPLESDIR%%/extrema-deloc/extrema-deloc.pl
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%%EXAMPLESDIR%%/extrema-zmat/Makefile.in
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%%EXAMPLESDIR%%/extrema-zmat/extrema-zmat.pl.in
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%%EXAMPLESDIR%%/extrema-zmat/extrema-zmat.test.pl
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%%EXAMPLESDIR%%/extrema-zmat/file11.ref
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%%EXAMPLESDIR%%/extrema-zmat/input.dat
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%%EXAMPLESDIR%%/extrema-zmat/output.ref
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%%EXAMPLESDIR%%/extrema-zmat/Makefile
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%%EXAMPLESDIR%%/extrema-zmat/extrema-zmat.pl
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%%EXAMPLESDIR%%/mp2-direct-sp/Makefile.in
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%%EXAMPLESDIR%%/mp2-direct-sp/input.dat
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%%EXAMPLESDIR%%/mp2-direct-sp/mp2-direct-sp.test.pl
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%%EXAMPLESDIR%%/mp2-direct-sp/output.ref
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%%EXAMPLESDIR%%/mp2-direct-sp/Makefile
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%%EXAMPLESDIR%%/mp2-oeprop/Makefile.in
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%%EXAMPLESDIR%%/mp2-oeprop/input.dat
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%%EXAMPLESDIR%%/mp2-oeprop/mp2-oeprop.test.pl
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%%EXAMPLESDIR%%/mp2-oeprop/output.ref
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%%EXAMPLESDIR%%/mp2-oeprop/Makefile
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%%EXAMPLESDIR%%/mp2-opt-numer/Makefile.in
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%%EXAMPLESDIR%%/mp2-opt-numer/file11.ref
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%%EXAMPLESDIR%%/mp2-opt-numer/input.dat
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%%EXAMPLESDIR%%/mp2-opt-numer/mp2-opt-numer.test.pl
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%%EXAMPLESDIR%%/mp2-opt-numer/output.ref
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%%EXAMPLESDIR%%/mp2-opt-numer/Makefile
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%%EXAMPLESDIR%%/mp2-sp/Makefile.in
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%%EXAMPLESDIR%%/mp2-sp/input.dat
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%%EXAMPLESDIR%%/mp2-sp/mp2-sp.test.pl
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%%EXAMPLESDIR%%/mp2-sp/output.ref
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%%EXAMPLESDIR%%/mp2-sp/Makefile
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%%EXAMPLESDIR%%/mp2r12-sp1/Makefile.in
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%%EXAMPLESDIR%%/mp2r12-sp1/input.dat
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%%EXAMPLESDIR%%/mp2r12-sp1/mp2r12-sp1.test.pl
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%%EXAMPLESDIR%%/mp2r12-sp1/output.ref
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%%EXAMPLESDIR%%/mp2r12-sp1/Makefile
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%%EXAMPLESDIR%%/psi_start/Makefile.in
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%%EXAMPLESDIR%%/psi_start/input.dat
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%%EXAMPLESDIR%%/psi_start/psi_start.pl.in
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%%EXAMPLESDIR%%/psi_start/psi_start.test.pl
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%%EXAMPLESDIR%%/psi_start/Makefile
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%%EXAMPLESDIR%%/psi_start/psi_start.pl
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%%EXAMPLESDIR%%/rhf-lindep1/Makefile.in
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%%EXAMPLESDIR%%/rhf-lindep1/input.dat
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%%EXAMPLESDIR%%/rhf-lindep1/output.ref
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%%EXAMPLESDIR%%/rhf-lindep1/Makefile
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%%EXAMPLESDIR%%/rhf-oeprop/Makefile.in
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%%EXAMPLESDIR%%/rhf-oeprop/input.dat
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%%EXAMPLESDIR%%/rhf-oeprop/mo.cube.ref
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%%EXAMPLESDIR%%/rhf-oeprop/output.ref
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%%EXAMPLESDIR%%/rhf-oeprop/Makefile
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%%EXAMPLESDIR%%/rhf-stab/Makefile.in
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%%EXAMPLESDIR%%/rhf-stab/input.dat
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%%EXAMPLESDIR%%/rhf-stab/output.ref
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%%EXAMPLESDIR%%/rhf-stab/rhf-stab.pl.in
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%%EXAMPLESDIR%%/rhf-stab/rhf-stab.test.pl
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%%EXAMPLESDIR%%/rhf-stab/Makefile
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%%EXAMPLESDIR%%/rhf-stab/rhf-stab.pl
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%%EXAMPLESDIR%%/rohf-stab/Makefile.in
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%%EXAMPLESDIR%%/rohf-stab/input.dat
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%%EXAMPLESDIR%%/rohf-stab/output.ref
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%%EXAMPLESDIR%%/rohf-stab/rohf-stab.pl.in
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%%EXAMPLESDIR%%/rohf-stab/rohf-stab.test.pl
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%%EXAMPLESDIR%%/rohf-stab/Makefile
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%%EXAMPLESDIR%%/rohf-stab/rohf-stab.pl
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%%EXAMPLESDIR%%/rohf-lindep1/Makefile.in
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%%EXAMPLESDIR%%/rohf-lindep1/input.dat
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%%EXAMPLESDIR%%/rohf-lindep1/output.ref
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%%EXAMPLESDIR%%/rohf-lindep1/Makefile
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%%EXAMPLESDIR%%/rohf-grad1/Makefile
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%%EXAMPLESDIR%%/rohf-grad1/Makefile.in
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%%EXAMPLESDIR%%/rohf-grad1/file11.ref
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%%EXAMPLESDIR%%/rohf-grad1/input.dat
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%%EXAMPLESDIR%%/rohf-grad1/output.ref
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%%EXAMPLESDIR%%/scf-freq/Makefile.in
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%%EXAMPLESDIR%%/scf-freq/file15.ref
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%%EXAMPLESDIR%%/scf-freq/file17.ref
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%%EXAMPLESDIR%%/scf-freq/input.dat
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%%EXAMPLESDIR%%/scf-freq/output.ref
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%%EXAMPLESDIR%%/scf-freq/scf-freq.test.pl
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%%EXAMPLESDIR%%/scf-freq/Makefile
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%%EXAMPLESDIR%%/scf-freq-numer/Makefile.in
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%%EXAMPLESDIR%%/scf-freq-numer/file11.ref
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%%EXAMPLESDIR%%/scf-freq-numer/input.dat
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%%EXAMPLESDIR%%/scf-freq-numer/output.ref
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%%EXAMPLESDIR%%/scf-freq-numer/scf-freq-numer.test.pl
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%%EXAMPLESDIR%%/scf-freq-numer/Makefile
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%%EXAMPLESDIR%%/scf-freq-symm-numer/Makefile.in
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%%EXAMPLESDIR%%/scf-freq-symm-numer/file11.ref
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%%EXAMPLESDIR%%/scf-freq-symm-numer/input.dat
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%%EXAMPLESDIR%%/scf-freq-symm-numer/output.ref
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%%EXAMPLESDIR%%/scf-freq-symm-numer/scf-freq-symm-numer.test.pl
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%%EXAMPLESDIR%%/scf-freq-symm-numer/Makefile
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%%EXAMPLESDIR%%/scf-opt/Makefile.in
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%%EXAMPLESDIR%%/scf-opt/file11.ref
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%%EXAMPLESDIR%%/scf-opt/input.dat
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%%EXAMPLESDIR%%/scf-opt/output.ref
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%%EXAMPLESDIR%%/scf-opt/scf-opt.test.pl
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%%EXAMPLESDIR%%/scf-opt/Makefile
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%%EXAMPLESDIR%%/scf-opt-numer/Makefile.in
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%%EXAMPLESDIR%%/scf-opt-numer/file11.ref
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%%EXAMPLESDIR%%/scf-opt-numer/input.dat
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%%EXAMPLESDIR%%/scf-opt-numer/output.ref
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%%EXAMPLESDIR%%/scf-opt-numer/scf-opt-numer.test.pl
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%%EXAMPLESDIR%%/scf-opt-numer/Makefile
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%%EXAMPLESDIR%%/scf-opt10/Makefile.in
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%%EXAMPLESDIR%%/scf-opt10/file11.ref
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%%EXAMPLESDIR%%/scf-opt10/input.dat
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%%EXAMPLESDIR%%/scf-opt10/output.ref
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%%EXAMPLESDIR%%/scf-opt10/scf-opt10.test.pl
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%%EXAMPLESDIR%%/scf-opt10/Makefile
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%%EXAMPLESDIR%%/scf-opt11/Makefile.in
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%%EXAMPLESDIR%%/scf-opt11/file11.ref
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%%EXAMPLESDIR%%/scf-opt11/input.dat
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%%EXAMPLESDIR%%/scf-opt11/output.ref
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%%EXAMPLESDIR%%/scf-opt11/scf-opt11.test.pl
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%%EXAMPLESDIR%%/scf-opt11/Makefile
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%%EXAMPLESDIR%%/scf-opt2/Makefile.in
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%%EXAMPLESDIR%%/scf-opt2/file11.ref
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%%EXAMPLESDIR%%/scf-opt2/input.dat
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%%EXAMPLESDIR%%/scf-opt2/output.ref
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%%EXAMPLESDIR%%/scf-opt2/scf-opt2.test.pl
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%%EXAMPLESDIR%%/scf-opt2/Makefile
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%%EXAMPLESDIR%%/scf-opt3/Makefile.in
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%%EXAMPLESDIR%%/scf-opt3/file11.ref
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%%EXAMPLESDIR%%/scf-opt3/input.dat
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%%EXAMPLESDIR%%/scf-opt3/output.ref
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%%EXAMPLESDIR%%/scf-opt3/scf-opt3.test.pl
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%%EXAMPLESDIR%%/scf-opt3/Makefile
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%%EXAMPLESDIR%%/scf-opt4/Makefile.in
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%%EXAMPLESDIR%%/scf-opt4/file11.ref
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%%EXAMPLESDIR%%/scf-opt4/input.dat
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%%EXAMPLESDIR%%/scf-opt4/output.ref
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%%EXAMPLESDIR%%/scf-opt4/scf-opt4.test.pl
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%%EXAMPLESDIR%%/scf-opt4/Makefile
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%%EXAMPLESDIR%%/scf-opt5/Makefile.in
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%%EXAMPLESDIR%%/scf-opt5/file11.ref
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%%EXAMPLESDIR%%/scf-opt5/input.dat
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%%EXAMPLESDIR%%/scf-opt5/output.ref
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%%EXAMPLESDIR%%/scf-opt5/scf-opt5.test.pl
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%%EXAMPLESDIR%%/scf-opt5/Makefile
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%%EXAMPLESDIR%%/scf-opt6/Makefile.in
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%%EXAMPLESDIR%%/scf-opt6/file11.ref
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%%EXAMPLESDIR%%/scf-opt6/input.dat
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%%EXAMPLESDIR%%/scf-opt6/output.ref
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%%EXAMPLESDIR%%/scf-opt6/scf-opt6.test.pl
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%%EXAMPLESDIR%%/scf-opt6/Makefile
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%%EXAMPLESDIR%%/scf-opt7/Makefile.in
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%%EXAMPLESDIR%%/scf-opt7/file11.ref
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%%EXAMPLESDIR%%/scf-opt7/input.dat
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%%EXAMPLESDIR%%/scf-opt7/output.ref
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%%EXAMPLESDIR%%/scf-opt7/scf-opt7.test.pl
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%%EXAMPLESDIR%%/scf-opt7/Makefile
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%%EXAMPLESDIR%%/scf-opt8/Makefile.in
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%%EXAMPLESDIR%%/scf-opt8/file11.ref
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%%EXAMPLESDIR%%/scf-opt8/input.dat
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%%EXAMPLESDIR%%/scf-opt8/output.ref
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%%EXAMPLESDIR%%/scf-opt8/scf-opt8.test.pl
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%%EXAMPLESDIR%%/scf-opt8/Makefile
|
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%%EXAMPLESDIR%%/scf-opt9/Makefile.in
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%%EXAMPLESDIR%%/scf-opt9/file11.ref
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%%EXAMPLESDIR%%/scf-opt9/input.dat
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%%EXAMPLESDIR%%/scf-opt9/output.ref
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%%EXAMPLESDIR%%/scf-opt9/scf-opt9.test.pl
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%%EXAMPLESDIR%%/scf-opt9/Makefile
|
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%%EXAMPLESDIR%%/scf-polar/Makefile.in
|
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%%EXAMPLESDIR%%/scf-polar/input.dat
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%%EXAMPLESDIR%%/scf-polar/output.ref
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%%EXAMPLESDIR%%/scf-polar/scf-polar.test.pl
|
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%%EXAMPLESDIR%%/scf-polar/Makefile
|
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%%EXAMPLESDIR%%/uhf-lindep1/Makefile.in
|
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%%EXAMPLESDIR%%/uhf-lindep1/input.dat
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%%EXAMPLESDIR%%/uhf-lindep1/output.ref
|
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%%EXAMPLESDIR%%/uhf-lindep1/Makefile
|
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%%EXAMPLESDIR%%/uhf-stab/Makefile.in
|
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%%EXAMPLESDIR%%/uhf-stab/input.dat
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%%EXAMPLESDIR%%/uhf-stab/output.ref
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%%EXAMPLESDIR%%/uhf-stab/uhf-stab.pl.in
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%%EXAMPLESDIR%%/uhf-stab/uhf-stab.test.pl
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%%EXAMPLESDIR%%/uhf-stab/Makefile
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%%EXAMPLESDIR%%/uhf-stab/uhf-stab.pl
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%%EXAMPLESDIR%%/uhf-stab-follow/Makefile.in
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%%EXAMPLESDIR%%/uhf-stab-follow/input.dat
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%%EXAMPLESDIR%%/uhf-stab-follow/output.ref
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%%EXAMPLESDIR%%/uhf-stab-follow/uhf-stab-follow.pl.in
|
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%%EXAMPLESDIR%%/uhf-stab-follow/uhf-stab-follow.test.pl
|
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%%EXAMPLESDIR%%/uhf-grad1/Makefile
|
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%%EXAMPLESDIR%%/uhf-grad1/Makefile.in
|
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%%EXAMPLESDIR%%/uhf-grad1/file11.ref
|
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%%EXAMPLESDIR%%/uhf-grad1/input.dat
|
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%%EXAMPLESDIR%%/uhf-grad1/output.ref
|
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%%EXAMPLESDIR%%/Makefile
|
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%%EXAMPLESDIR%%/MakeVars
|
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%%EXAMPLESDIR%%/MakeRules
|
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%%EXAMPLESDIR%%/runtest.pl
|
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@dirrm %%EXAMPLESDIR%%/uhf-stab-follow
|
|
@dirrm %%EXAMPLESDIR%%/uhf-stab
|
|
@dirrm %%EXAMPLESDIR%%/uhf-grad1
|
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@dirrm %%EXAMPLESDIR%%/uhf-lindep1
|
|
@dirrm %%EXAMPLESDIR%%/scf-polar
|
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@dirrm %%EXAMPLESDIR%%/scf-opt9
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt8
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt7
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt6
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt5
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt4
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt3
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt2
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt11
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt10
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt-numer
|
|
@dirrm %%EXAMPLESDIR%%/scf-opt
|
|
@dirrm %%EXAMPLESDIR%%/scf-freq-symm-numer
|
|
@dirrm %%EXAMPLESDIR%%/scf-freq-numer
|
|
@dirrm %%EXAMPLESDIR%%/scf-freq
|
|
@dirrm %%EXAMPLESDIR%%/rohf-stab
|
|
@dirrm %%EXAMPLESDIR%%/rohf-lindep1
|
|
@dirrm %%EXAMPLESDIR%%/rohf-grad1
|
|
@dirrm %%EXAMPLESDIR%%/rhf-stab
|
|
@dirrm %%EXAMPLESDIR%%/rhf-oeprop
|
|
@dirrm %%EXAMPLESDIR%%/rhf-lindep1
|
|
@dirrm %%EXAMPLESDIR%%/psi_start
|
|
@dirrm %%EXAMPLESDIR%%/mp2r12-sp1
|
|
@dirrm %%EXAMPLESDIR%%/mp2-sp
|
|
@dirrm %%EXAMPLESDIR%%/mp2-opt-numer
|
|
@dirrm %%EXAMPLESDIR%%/mp2-oeprop
|
|
@dirrm %%EXAMPLESDIR%%/mp2-direct-sp
|
|
@dirrm %%EXAMPLESDIR%%/extrema-zmat
|
|
@dirrm %%EXAMPLESDIR%%/extrema-deloc
|
|
@dirrm %%EXAMPLESDIR%%/dboc-uhf1
|
|
@dirrm %%EXAMPLESDIR%%/dboc-rohf1
|
|
@dirrm %%EXAMPLESDIR%%/dboc-rocisd1
|
|
@dirrm %%EXAMPLESDIR%%/dboc-rhf1
|
|
@dirrm %%EXAMPLESDIR%%/dboc-rcisd1
|
|
@dirrm %%EXAMPLESDIR%%/cisd-sp
|
|
@dirrm %%EXAMPLESDIR%%/cisd-opt-numer
|
|
@dirrm %%EXAMPLESDIR%%/cis-sp
|
|
@dirrm %%EXAMPLESDIR%%/cc9
|
|
@dirrm %%EXAMPLESDIR%%/cc8
|
|
@dirrm %%EXAMPLESDIR%%/cc7
|
|
@dirrm %%EXAMPLESDIR%%/cc6
|
|
@dirrm %%EXAMPLESDIR%%/cc5
|
|
@dirrm %%EXAMPLESDIR%%/cc4
|
|
@dirrm %%EXAMPLESDIR%%/cc3
|
|
@dirrm %%EXAMPLESDIR%%/cc2
|
|
@dirrm %%EXAMPLESDIR%%/cc19
|
|
@dirrm %%EXAMPLESDIR%%/cc18
|
|
@dirrm %%EXAMPLESDIR%%/cc17
|
|
@dirrm %%EXAMPLESDIR%%/cc16
|
|
@dirrm %%EXAMPLESDIR%%/cc15
|
|
@dirrm %%EXAMPLESDIR%%/cc14
|
|
@dirrm %%EXAMPLESDIR%%/cc13
|
|
@dirrm %%EXAMPLESDIR%%/cc12
|
|
@dirrm %%EXAMPLESDIR%%/cc11
|
|
@dirrm %%EXAMPLESDIR%%/cc10
|
|
@dirrm %%EXAMPLESDIR%%/cc1
|
|
@dirrm %%EXAMPLESDIR%%/casscf-sp
|
|
@dirrm %%EXAMPLESDIR%%/Basis_Tests
|
|
@dirrm %%EXAMPLESDIR%%
|
|
@dirrm %%DATADIR%%
|