mirror of
https://git.FreeBSD.org/ports.git
synced 2024-12-11 02:50:24 +00:00
4933 lines
222 KiB
Plaintext
4933 lines
222 KiB
Plaintext
bin/chkmpqcout
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bin/molrender
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bin/mpqc
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bin/sc-config
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bin/sc-mkf77sym
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bin/scls
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bin/scpr
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bin/tkmolrender
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include/chemistry/molecule/LIBS.h
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include/chemistry/molecule/atominfo.h
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include/chemistry/molecule/coor.h
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include/chemistry/molecule/energy.h
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include/chemistry/molecule/fdhess.h
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include/chemistry/molecule/formula.h
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include/chemistry/molecule/hess.h
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include/chemistry/molecule/linkage.h
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include/chemistry/molecule/localdef.h
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include/chemistry/molecule/molecule.h
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include/chemistry/molecule/molfreq.h
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include/chemistry/molecule/molrender.h
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include/chemistry/molecule/molshape.h
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include/chemistry/molecule/simple.h
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include/chemistry/molecule/taylor.h
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include/chemistry/qc/basis/LIBS.h
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include/chemistry/qc/basis/basis.h
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include/chemistry/qc/basis/cartiter.h
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include/chemistry/qc/basis/dercent.h
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include/chemistry/qc/basis/extent.h
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include/chemistry/qc/basis/f77sym.h
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include/chemistry/qc/basis/files.h
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include/chemistry/qc/basis/gaussbas.h
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include/chemistry/qc/basis/gaussshell.h
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include/chemistry/qc/basis/integral.h
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include/chemistry/qc/basis/obint.h
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include/chemistry/qc/basis/petite.h
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include/chemistry/qc/basis/shellrot.h
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include/chemistry/qc/basis/sobasis.h
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include/chemistry/qc/basis/sointegral.h
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include/chemistry/qc/basis/symmint.h
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include/chemistry/qc/basis/tbint.h
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include/chemistry/qc/basis/transform.h
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include/chemistry/qc/dft/LIBS.h
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include/chemistry/qc/dft/clks.h
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include/chemistry/qc/dft/clkstmpl.h
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include/chemistry/qc/dft/functional.h
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include/chemistry/qc/dft/hsosks.h
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include/chemistry/qc/dft/hsoskstmpl.h
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include/chemistry/qc/dft/integrator.h
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include/chemistry/qc/dft/linkage.h
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include/chemistry/qc/dft/uks.h
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include/chemistry/qc/dft/ukstmpl.h
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include/chemistry/qc/intv3/LIBS.h
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include/chemistry/qc/intv3/array.h
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include/chemistry/qc/intv3/cartitv3.h
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include/chemistry/qc/intv3/fjt.h
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include/chemistry/qc/intv3/flags.h
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include/chemistry/qc/intv3/int1e.h
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include/chemistry/qc/intv3/int2e.h
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include/chemistry/qc/intv3/intv3.h
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include/chemistry/qc/intv3/macros.h
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include/chemistry/qc/intv3/obintv3.h
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include/chemistry/qc/intv3/storage.h
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include/chemistry/qc/intv3/tbintv3.h
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include/chemistry/qc/intv3/tformv3.h
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include/chemistry/qc/intv3/types.h
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include/chemistry/qc/intv3/utils.h
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include/chemistry/qc/mbpt/LIBS.h
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include/chemistry/qc/mbpt/bzerofast.h
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include/chemistry/qc/mbpt/csgrad34qb.h
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include/chemistry/qc/mbpt/csgrade12.h
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include/chemistry/qc/mbpt/csgrads2pdm.h
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include/chemistry/qc/mbpt/distsh.h
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include/chemistry/qc/mbpt/hsosv1e1.h
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include/chemistry/qc/mbpt/linkage.h
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include/chemistry/qc/mbpt/mbpt.h
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include/chemistry/qc/mbpt/mp2extrap.h
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include/chemistry/qc/mbpt/util.h
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include/chemistry/qc/oint3/LIBS.h
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include/chemistry/qc/oint3/build.h
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include/chemistry/qc/psi/LIBS.h
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include/chemistry/qc/psi/linkage.h
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include/chemistry/qc/psi/psiexenv.h
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include/chemistry/qc/psi/psifile11.h
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include/chemistry/qc/psi/psiinput.h
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include/chemistry/qc/psi/psiwfn.h
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include/chemistry/qc/scf/LIBS.h
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include/chemistry/qc/scf/clhf.h
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include/chemistry/qc/scf/clhftmpl.h
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include/chemistry/qc/scf/clscf.h
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include/chemistry/qc/scf/effh.h
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include/chemistry/qc/scf/gbuild.h
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include/chemistry/qc/scf/hsoshf.h
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include/chemistry/qc/scf/hsoshftmpl.h
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include/chemistry/qc/scf/hsosscf.h
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include/chemistry/qc/scf/lbgbuild.h
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include/chemistry/qc/scf/lgbuild.h
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include/chemistry/qc/scf/linkage.h
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include/chemistry/qc/scf/ltbgrad.h
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include/chemistry/qc/scf/osshf.h
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include/chemistry/qc/scf/osshftmpl.h
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include/chemistry/qc/scf/ossscf.h
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include/chemistry/qc/scf/scf.h
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include/chemistry/qc/scf/scflocal.h
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include/chemistry/qc/scf/scfops.h
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include/chemistry/qc/scf/tbgrad.h
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include/chemistry/qc/scf/tchf.h
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include/chemistry/qc/scf/tchftmpl.h
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include/chemistry/qc/scf/tcscf.h
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include/chemistry/qc/scf/uhf.h
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include/chemistry/qc/scf/uhftmpl.h
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include/chemistry/qc/scf/uscf.h
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include/chemistry/qc/wfn/LIBS.h
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include/chemistry/qc/wfn/accum.h
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include/chemistry/qc/wfn/density.h
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include/chemistry/qc/wfn/eht.h
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include/chemistry/qc/wfn/linkage.h
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include/chemistry/qc/wfn/obwfn.h
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include/chemistry/qc/wfn/orbital.h
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include/chemistry/qc/wfn/solvent.h
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include/chemistry/qc/wfn/wfn.h
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include/chemistry/solvent/LIBS.h
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include/chemistry/solvent/bem.h
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include/math/isosurf/LIBS.h
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include/math/isosurf/edge.h
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include/math/isosurf/edgedefs.h
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include/math/isosurf/implicit.h
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include/math/isosurf/isosurf.h
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include/math/isosurf/shape.h
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include/math/isosurf/surf.h
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include/math/isosurf/triangle.h
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include/math/isosurf/tricoef.h
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include/math/isosurf/vertex.h
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include/math/isosurf/volume.h
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include/math/isosurf/volume_i.h
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include/math/linpackd/LIBS.h
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include/math/linpackd/linpackd.h
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include/math/optimize/LIBS.h
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include/math/optimize/conv.h
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include/math/optimize/diis.h
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include/math/optimize/efc.h
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include/math/optimize/function.h
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include/math/optimize/gdiis.h
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include/math/optimize/linkage.h
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include/math/optimize/newton.h
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include/math/optimize/opt.h
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include/math/optimize/qnewton.h
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include/math/optimize/scextrap.h
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include/math/optimize/scextrapmat.h
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include/math/optimize/steep.h
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include/math/optimize/transform.h
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include/math/optimize/update.h
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include/math/scmat/LIBS.h
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include/math/scmat/abstract.h
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include/math/scmat/blkiter.h
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include/math/scmat/block.h
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include/math/scmat/blocked.h
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include/math/scmat/cmatrix.h
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include/math/scmat/dim.h
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include/math/scmat/dist.h
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include/math/scmat/disthql.h
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include/math/scmat/elemop.h
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include/math/scmat/f77sym.h
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include/math/scmat/linkage.h
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include/math/scmat/local.h
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include/math/scmat/matrix.h
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include/math/scmat/matrix3.h
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include/math/scmat/matrix_i.h
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include/math/scmat/mops.h
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include/math/scmat/offset.h
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include/math/scmat/repl.h
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include/math/scmat/result.h
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include/math/scmat/vector3.h
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include/math/scmat/vector3_i.h
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include/math/symmetry/LIBS.h
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include/math/symmetry/corrtab.h
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include/math/symmetry/pointgrp.h
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include/scconfig.h
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include/scdirlist.h
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include/util/class/LIBS.h
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include/util/class/class.h
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include/util/class/classdefs.h
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include/util/class/classkeydefs.h
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include/util/class/classldefs.h
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include/util/class/proxy.h
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include/util/container/LIBS.h
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include/util/container/ar2mac.h
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include/util/container/ar2tem.h
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include/util/container/armac.h
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include/util/container/array.h
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include/util/container/artem.h
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include/util/container/avlmap.h
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include/util/container/avlset.h
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include/util/container/bitarray.h
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include/util/container/carray.h
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include/util/container/compare.h
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include/util/container/eavlmmap.h
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include/util/container/ssar2mac.h
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include/util/container/ssar2tem.h
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include/util/container/ssarmac.h
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include/util/container/ssartem.h
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include/util/group/LIBS.h
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include/util/group/globcnt.h
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include/util/group/hcube.h
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include/util/group/linkage.h
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include/util/group/memamsg.h
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include/util/group/memiter.h
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include/util/group/memmsg.h
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include/util/group/memmtmpi.h
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include/util/group/memory.h
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include/util/group/memproc.h
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include/util/group/memshm.h
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include/util/group/message.h
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include/util/group/messaget.h
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include/util/group/messmpi.h
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include/util/group/messshm.h
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include/util/group/mstate.h
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include/util/group/pool.h
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include/util/group/pregtime.h
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include/util/group/rnglock.h
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include/util/group/thpthd.h
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include/util/group/thpuma.h
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include/util/group/thread.h
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include/util/group/topology.h
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include/util/keyval/LIBS.h
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include/util/keyval/ipv2.h
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include/util/keyval/ipv2_parse.h
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include/util/keyval/ipv2_scan.h
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include/util/keyval/keyval.h
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include/util/keyval/keyvaldefs.h
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include/util/keyval/keyvalval.h
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include/util/misc/LIBS.h
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include/util/misc/bug.h
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include/util/misc/comptmpl.h
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include/util/misc/compute.h
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include/util/misc/exenv.h
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include/util/misc/formio.h
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include/util/misc/ieee.h
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include/util/misc/newstring.h
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include/util/misc/regtime.h
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include/util/misc/scint.h
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include/util/misc/timer.h
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include/util/misc/units.h
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include/util/options/GetLongOpt.h
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include/util/options/LIBS.h
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include/util/ref/LIBS.h
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include/util/ref/identity.h
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include/util/ref/ref.h
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include/util/ref/reftestx.h
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include/util/render/LIBS.h
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include/util/render/algebra3.h
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include/util/render/animate.h
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include/util/render/appearance.h
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include/util/render/color.h
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include/util/render/find.h
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include/util/render/linkage.h
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include/util/render/material.h
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include/util/render/object.h
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include/util/render/oogl.h
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include/util/render/parameter.h
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include/util/render/polygons.h
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include/util/render/polylines.h
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include/util/render/polysphere.h
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include/util/render/render.h
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include/util/render/sphere.h
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include/util/render/stack.h
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include/util/render/transform.h
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include/util/state/LIBS.h
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include/util/state/array.h
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include/util/state/linkage.h
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include/util/state/proxy.h
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include/util/state/state.h
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include/util/state/state_bin.h
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include/util/state/state_file.h
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include/util/state/state_net.h
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include/util/state/state_text.h
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include/util/state/statein.h
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include/util/state/stateio.h
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include/util/state/stateout.h
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include/util/state/translate.h
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lib/libSCbasis.a
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lib/libSCclass.a
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lib/libSCcontainer.a
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lib/libSCdft.a
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lib/libSCgroup.a
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lib/libSCintv3.a
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lib/libSCisosurf.a
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lib/libSCkeyval.a
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lib/libSClinpackd.a
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lib/libSCmbpt.a
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lib/libSCmisc.a
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lib/libSCmolecule.a
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lib/libSCoint3.a
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lib/libSCoptimize.a
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lib/libSCoptions.a
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lib/libSCpsi.a
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lib/libSCref.a
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lib/libSCrender.a
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lib/libSCscf.a
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lib/libSCscmat.a
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lib/libSCsolvent.a
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lib/libSCstate.a
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lib/libSCsymmetry.a
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lib/libSCwfn.a
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lib/libmpqc.a
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share/mpqc/2.1.2/basis/3-21PPg.kv
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share/mpqc/2.1.2/basis/3-21PPgS.kv
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share/mpqc/2.1.2/basis/3-21g.kv
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share/mpqc/2.1.2/basis/3-21gS.kv
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share/mpqc/2.1.2/basis/4-31g.kv
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share/mpqc/2.1.2/basis/4-31gS.kv
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share/mpqc/2.1.2/basis/4-31gSS.kv
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share/mpqc/2.1.2/basis/6-311PPgL2d_2pR.kv
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share/mpqc/2.1.2/basis/6-311PPgL3df_3pdR.kv
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share/mpqc/2.1.2/basis/6-311PPgSS.kv
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share/mpqc/2.1.2/basis/6-311g.kv
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share/mpqc/2.1.2/basis/6-311gL2df_2pdR.kv
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share/mpqc/2.1.2/basis/6-311gS.kv
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share/mpqc/2.1.2/basis/6-311gSS.kv
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share/mpqc/2.1.2/basis/6-31PPg.kv
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share/mpqc/2.1.2/basis/6-31PPgS.kv
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share/mpqc/2.1.2/basis/6-31PPgSS.kv
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share/mpqc/2.1.2/basis/6-31PgS.kv
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share/mpqc/2.1.2/basis/6-31g.kv
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share/mpqc/2.1.2/basis/6-31gS.kv
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share/mpqc/2.1.2/basis/6-31gSS.kv
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share/mpqc/2.1.2/basis/aug-cc-pcv5z.kv
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share/mpqc/2.1.2/basis/aug-cc-pcvdz.kv
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share/mpqc/2.1.2/basis/aug-cc-pcvqz.kv
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share/mpqc/2.1.2/basis/aug-cc-pcvtz.kv
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share/mpqc/2.1.2/basis/aug-cc-pv5z.kv
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share/mpqc/2.1.2/basis/aug-cc-pv6z.kv
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share/mpqc/2.1.2/basis/aug-cc-pvdz.kv
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share/mpqc/2.1.2/basis/aug-cc-pvqz.kv
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share/mpqc/2.1.2/basis/aug-cc-pvtz.kv
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share/mpqc/2.1.2/basis/cc-pcv5z.kv
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share/mpqc/2.1.2/basis/cc-pcvdz.kv
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share/mpqc/2.1.2/basis/cc-pcvqz.kv
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share/mpqc/2.1.2/basis/cc-pcvtz.kv
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share/mpqc/2.1.2/basis/cc-pv5z.kv
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share/mpqc/2.1.2/basis/cc-pv6z.kv
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share/mpqc/2.1.2/basis/cc-pvdz.kv
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share/mpqc/2.1.2/basis/cc-pvqz.kv
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share/mpqc/2.1.2/basis/cc-pvtz.kv
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share/mpqc/2.1.2/basis/dz_LdunningR.kv
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share/mpqc/2.1.2/basis/dzp_LdunningR.kv
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share/mpqc/2.1.2/basis/dzp_P_diffuse_LdunningR.kv
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share/mpqc/2.1.2/basis/midi_LhuzinagaR.kv
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share/mpqc/2.1.2/basis/mini_LhuzinagaR.kv
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share/mpqc/2.1.2/basis/mini_LscaledR.kv
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share/mpqc/2.1.2/basis/nasa_ames_ano.kv
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share/mpqc/2.1.2/basis/sto-2g.kv
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share/mpqc/2.1.2/basis/sto-3g.kv
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share/mpqc/2.1.2/basis/sto-3gS.kv
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share/mpqc/2.1.2/basis/sto-6g.kv
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share/mpqc/2.1.2/basis/tz_LdunningR.kv
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share/mpqc/2.1.2/elisp/SC.el
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share/mpqc/2.1.2/elisp/compile.el
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share/mpqc/2.1.2/elisp/keyval.el
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share/mpqc/2.1.2/elisp/mpqc.el
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share/mpqc/2.1.2/perl/Molecule.pm
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share/mpqc/2.1.2/perl/QCParse.pm
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share/mpqc/2.1.2/perl/QCResult.pm
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share/mpqc/2.1.2/atominfo.kv
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share/mpqc/2.1.2/magic
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%%PORTDOCS%%share/doc/mpqc/GetLongOpt_h-source.html
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%%PORTDOCS%%share/doc/mpqc/abstract_h-source.html
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%%PORTDOCS%%share/doc/mpqc/accum_h-source.html
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%%PORTDOCS%%share/doc/mpqc/algebra3_h-source.html
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%%PORTDOCS%%share/doc/mpqc/animate_h-source.html
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%%PORTDOCS%%share/doc/mpqc/annotated.html
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%%PORTDOCS%%share/doc/mpqc/appearance_h-source.html
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%%PORTDOCS%%share/doc/mpqc/ar2tem_h-source.html
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%%PORTDOCS%%share/doc/mpqc/artem_h-source.html
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%%PORTDOCS%%share/doc/mpqc/atominfo_h-source.html
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%%PORTDOCS%%share/doc/mpqc/avlmap_h-source.html
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%%PORTDOCS%%share/doc/mpqc/avlset_h-source.html
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%%PORTDOCS%%share/doc/mpqc/basis_h-source.html
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%%PORTDOCS%%share/doc/mpqc/bem_h-source.html
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%%PORTDOCS%%share/doc/mpqc/bin_molrender_LIBS_h-source.html
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%%PORTDOCS%%share/doc/mpqc/bin_mpqc_LIBS_h-source.html
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share/mpqc/ref/uscf_h2ouxalpha6311gssc2v.in
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|
share/mpqc/ref/uscf_h2ouxalpha6311gssc2v.out
|
|
share/mpqc/ref/uscf_h2ouxalpha6311gssc2v.qci
|
|
share/mpqc/ref/uscf_h2ouxalphasto3gc2v.in
|
|
share/mpqc/ref/uscf_h2ouxalphasto3gc2v.out
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share/mpqc/ref/uscf_h2ouxalphasto3gc2v.qci
|
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@dirrm share/mpqc/2.1.2/basis
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@dirrm share/mpqc/2.1.2/elisp
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@dirrm share/mpqc/2.1.2/perl
|
|
@dirrm share/mpqc/2.1.2
|
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@dirrm share/mpqc/ref
|
|
@dirrm share/mpqc
|
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@dirrm include/util/state
|
|
@dirrm include/util/render
|
|
@dirrm include/util/ref
|
|
@dirrm include/util/options
|
|
@dirrm include/util/misc
|
|
@dirrm include/util/keyval
|
|
@dirrm include/util/group
|
|
@dirrm include/util/container
|
|
@dirrm include/util/class
|
|
@dirrm include/util
|
|
@dirrm include/math/symmetry
|
|
@dirrm include/math/scmat
|
|
@dirrm include/math/optimize
|
|
@dirrm include/math/linpackd
|
|
@dirrm include/math/isosurf
|
|
@dirrm include/math
|
|
@dirrm include/chemistry/solvent
|
|
@dirrm include/chemistry/qc/wfn
|
|
@dirrm include/chemistry/qc/scf
|
|
@dirrm include/chemistry/qc/psi
|
|
@dirrm include/chemistry/qc/oint3
|
|
@dirrm include/chemistry/qc/mbpt
|
|
@dirrm include/chemistry/qc/intv3
|
|
@dirrm include/chemistry/qc/dft
|
|
@dirrm include/chemistry/qc/basis
|
|
@dirrm include/chemistry/qc
|
|
@dirrm include/chemistry/molecule
|
|
@dirrm include/chemistry
|