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distrib > Fedora > 14 > i386 > by-pkgid > f56d48ce96b4bc677ed175963a84e25d > files

mpqc-devel-2.3.1-14.fc14.i686.rpm

Files

-rwxr-xr-x 4042 root root /usr/bin/sc-config
-rwxr-xr-x230839 root root /usr/bin/sc-libtool
-rwxr-xr-x 999 root root /usr/bin/sc-mkf77sym
drwxr-xr-x 4096 root root /usr/include/mpqc
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry
drwxr-xr-x 4096 root root /usr/include/mpqc/math
-rw-r--r-- 8949 root root /usr/include/mpqc/scconfig.h
-rw-r--r-- 1635 root root /usr/include/mpqc/scdirlist.h
drwxr-xr-x 4096 root root /usr/include/mpqc/util
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/molecule
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/solvent
-rw-r--r-- 267 root root /usr/include/mpqc/chemistry/molecule/LIBS.h
-rw-r--r-- 8159 root root /usr/include/mpqc/chemistry/molecule/atominfo.h
-rw-r--r-- 31048 root root /usr/include/mpqc/chemistry/molecule/coor.h
-rw-r--r-- 9464 root root /usr/include/mpqc/chemistry/molecule/energy.h
-rw-r--r-- 7180 root root /usr/include/mpqc/chemistry/molecule/fdhess.h
-rw-r--r-- 1996 root root /usr/include/mpqc/chemistry/molecule/formula.h
-rw-r--r-- 6285 root root /usr/include/mpqc/chemistry/molecule/hess.h
-rw-r--r-- 2177 root root /usr/include/mpqc/chemistry/molecule/linkage.h
-rw-r--r-- 2955 root root /usr/include/mpqc/chemistry/molecule/localdef.h
-rw-r--r-- 17939 root root /usr/include/mpqc/chemistry/molecule/molecule.h
-rw-r--r-- 5160 root root /usr/include/mpqc/chemistry/molecule/molfreq.h
-rw-r--r-- 3077 root root /usr/include/mpqc/chemistry/molecule/molrender.h
-rw-r--r-- 5838 root root /usr/include/mpqc/chemistry/molecule/molshape.h
-rw-r--r-- 20687 root root /usr/include/mpqc/chemistry/molecule/simple.h
-rw-r--r-- 2330 root root /usr/include/mpqc/chemistry/molecule/taylor.h
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc/basis
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc/cints
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc/dft
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc/intv3
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc/mbpt
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc/mbptr12
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc/oint3
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc/psi
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc/scf
drwxr-xr-x 4096 root root /usr/include/mpqc/chemistry/qc/wfn
-rw-r--r-- 117 root root /usr/include/mpqc/chemistry/qc/basis/LIBS.h
-rw-r--r-- 1197 root root /usr/include/mpqc/chemistry/qc/basis/basis.h
-rw-r--r-- 5622 root root /usr/include/mpqc/chemistry/qc/basis/cartiter.h
-rw-r--r-- 3726 root root /usr/include/mpqc/chemistry/qc/basis/dercent.h
-rw-r--r-- 4210 root root /usr/include/mpqc/chemistry/qc/basis/distshpair.h
-rw-r--r-- 1600 root root /usr/include/mpqc/chemistry/qc/basis/extent.h
-rw-r--r-- 28 root root /usr/include/mpqc/chemistry/qc/basis/f77sym.h
-rw-r--r-- 1404 root root /usr/include/mpqc/chemistry/qc/basis/files.h
-rw-r--r-- 23506 root root /usr/include/mpqc/chemistry/qc/basis/gaussbas.h
-rw-r--r-- 8828 root root /usr/include/mpqc/chemistry/qc/basis/gaussshell.h
-rw-r--r-- 6086 root root /usr/include/mpqc/chemistry/qc/basis/gpetite.h
-rw-r--r-- 11041 root root /usr/include/mpqc/chemistry/qc/basis/integral.h
-rw-r--r-- 13449 root root /usr/include/mpqc/chemistry/qc/basis/obint.h
-rw-r--r-- 4652 root root /usr/include/mpqc/chemistry/qc/basis/orthog.h
-rw-r--r-- 7121 root root /usr/include/mpqc/chemistry/qc/basis/petite.h
-rw-r--r-- 3187 root root /usr/include/mpqc/chemistry/qc/basis/shellrot.h
-rw-r--r-- 5942 root root /usr/include/mpqc/chemistry/qc/basis/sobasis.h
-rw-r--r-- 3259 root root /usr/include/mpqc/chemistry/qc/basis/sointegral.h
-rw-r--r-- 2058 root root /usr/include/mpqc/chemistry/qc/basis/symmint.h
-rw-r--r-- 19740 root root /usr/include/mpqc/chemistry/qc/basis/tbint.h
-rw-r--r-- 6344 root root /usr/include/mpqc/chemistry/qc/basis/transform.h
-rw-r--r-- 225 root root /usr/include/mpqc/chemistry/qc/cints/LIBS.h
-rw-r--r-- 2261 root root /usr/include/mpqc/chemistry/qc/cints/cartit.h
-rw-r--r-- 4013 root root /usr/include/mpqc/chemistry/qc/cints/cints.h
-rw-r--r-- 4173 root root /usr/include/mpqc/chemistry/qc/cints/eri.h
-rw-r--r-- 4605 root root /usr/include/mpqc/chemistry/qc/cints/eri_quartet_data.h
-rw-r--r-- 2437 root root /usr/include/mpqc/chemistry/qc/cints/fjt.h
-rw-r--r-- 4474 root root /usr/include/mpqc/chemistry/qc/cints/grt.h
-rw-r--r-- 4886 root root /usr/include/mpqc/chemistry/qc/cints/grt_quartet_data.h
-rw-r--r-- 5764 root root /usr/include/mpqc/chemistry/qc/cints/int1e.h
-rw-r--r-- 4959 root root /usr/include/mpqc/chemistry/qc/cints/int2e.h
-rw-r--r-- 1218 root root /usr/include/mpqc/chemistry/qc/cints/linkage.h
-rw-r--r-- 7147 root root /usr/include/mpqc/chemistry/qc/cints/macros.h
-rw-r--r-- 2014 root root /usr/include/mpqc/chemistry/qc/cints/obintcints.h
-rw-r--r-- 2039 root root /usr/include/mpqc/chemistry/qc/cints/primpairs.h
-rw-r--r-- 3001 root root /usr/include/mpqc/chemistry/qc/cints/shellpairs.h
-rw-r--r-- 775 root root /usr/include/mpqc/chemistry/qc/cints/static.h
-rw-r--r-- 1183 root root /usr/include/mpqc/chemistry/qc/cints/storage.h
-rw-r--r-- 2879 root root /usr/include/mpqc/chemistry/qc/cints/tbintcints.h
-rw-r--r-- 2321 root root /usr/include/mpqc/chemistry/qc/cints/tform.h
-rw-r--r-- 119 root root /usr/include/mpqc/chemistry/qc/dft/LIBS.h
-rw-r--r-- 2676 root root /usr/include/mpqc/chemistry/qc/dft/clks.h
-rw-r--r-- 1928 root root /usr/include/mpqc/chemistry/qc/dft/clkstmpl.h
-rw-r--r-- 27364 root root /usr/include/mpqc/chemistry/qc/dft/functional.h
-rw-r--r-- 2851 root root /usr/include/mpqc/chemistry/qc/dft/hsosks.h
-rw-r--r-- 2561 root root /usr/include/mpqc/chemistry/qc/dft/hsoskstmpl.h
-rw-r--r-- 15855 root root /usr/include/mpqc/chemistry/qc/dft/integrator.h
-rw-r--r-- 2589 root root /usr/include/mpqc/chemistry/qc/dft/linkage.h
-rw-r--r-- 2651 root root /usr/include/mpqc/chemistry/qc/dft/uks.h
-rw-r--r-- 2294 root root /usr/include/mpqc/chemistry/qc/dft/ukstmpl.h
-rw-r--r-- 187 root root /usr/include/mpqc/chemistry/qc/intv3/LIBS.h
-rw-r--r-- 3835 root root /usr/include/mpqc/chemistry/qc/intv3/array.h
-rw-r--r-- 2153 root root /usr/include/mpqc/chemistry/qc/intv3/cartitv3.h
-rw-r--r-- 1700 root root /usr/include/mpqc/chemistry/qc/intv3/fjt.h
-rw-r--r-- 1116 root root /usr/include/mpqc/chemistry/qc/intv3/flags.h
-rw-r--r-- 10440 root root /usr/include/mpqc/chemistry/qc/intv3/int1e.h
-rw-r--r-- 15426 root root /usr/include/mpqc/chemistry/qc/intv3/int2e.h
-rw-r--r-- 3665 root root /usr/include/mpqc/chemistry/qc/intv3/intv3.h
-rw-r--r-- 7154 root root /usr/include/mpqc/chemistry/qc/intv3/macros.h
-rw-r--r-- 3788 root root /usr/include/mpqc/chemistry/qc/intv3/obintv3.h
-rw-r--r-- 5615 root root /usr/include/mpqc/chemistry/qc/intv3/storage.h
-rw-r--r-- 3907 root root /usr/include/mpqc/chemistry/qc/intv3/tbintv3.h
-rw-r--r-- 2286 root root /usr/include/mpqc/chemistry/qc/intv3/tformv3.h
-rw-r--r-- 1528 root root /usr/include/mpqc/chemistry/qc/intv3/types.h
-rw-r--r-- 1110 root root /usr/include/mpqc/chemistry/qc/intv3/utils.h
-rw-r--r-- 249 root root /usr/include/mpqc/chemistry/qc/mbpt/LIBS.h
-rw-r--r-- 1154 root root /usr/include/mpqc/chemistry/qc/mbpt/bzerofast.h
-rw-r--r-- 3093 root root /usr/include/mpqc/chemistry/qc/mbpt/csgrad34qb.h
-rw-r--r-- 2825 root root /usr/include/mpqc/chemistry/qc/mbpt/csgrade12.h
-rw-r--r-- 2381 root root /usr/include/mpqc/chemistry/qc/mbpt/csgrads2pdm.h
-rw-r--r-- 2445 root root /usr/include/mpqc/chemistry/qc/mbpt/hsosv1e1.h
-rw-r--r-- 1306 root root /usr/include/mpqc/chemistry/qc/mbpt/linkage.h
-rw-r--r-- 8979 root root /usr/include/mpqc/chemistry/qc/mbpt/mbpt.h
-rw-r--r-- 1474 root root /usr/include/mpqc/chemistry/qc/mbpt/mp2extrap.h
-rw-r--r-- 1842 root root /usr/include/mpqc/chemistry/qc/mbpt/util.h
-rw-r--r-- 325 root root /usr/include/mpqc/chemistry/qc/mbptr12/LIBS.h
-rw-r--r-- 472 root root /usr/include/mpqc/chemistry/qc/mbptr12/blas.h
-rw-r--r-- 129 root root /usr/include/mpqc/chemistry/qc/mbptr12/f77sym.h
-rw-r--r-- 622 root root /usr/include/mpqc/chemistry/qc/mbptr12/lapack.h
-rw-r--r-- 1436 root root /usr/include/mpqc/chemistry/qc/mbptr12/linearr12.h
-rw-r--r-- 1224 root root /usr/include/mpqc/chemistry/qc/mbptr12/linkage.h
-rw-r--r-- 10359 root root /usr/include/mpqc/chemistry/qc/mbptr12/mbptr12.h
-rw-r--r-- 7571 root root /usr/include/mpqc/chemistry/qc/mbptr12/moindexspace.h
-rw-r--r-- 5391 root root /usr/include/mpqc/chemistry/qc/mbptr12/mp2r12_energy.h
-rw-r--r-- 8039 root root /usr/include/mpqc/chemistry/qc/mbptr12/pairiter.h
-rw-r--r-- 2282 root root /usr/include/mpqc/chemistry/qc/mbptr12/print_scmat_norms.h
-rw-r--r-- 3111 root root /usr/include/mpqc/chemistry/qc/mbptr12/r12_amps.h
-rw-r--r-- 7049 root root /usr/include/mpqc/chemistry/qc/mbptr12/r12ia.h
-rw-r--r-- 4079 root root /usr/include/mpqc/chemistry/qc/mbptr12/r12ia_memgrp.h
-rw-r--r-- 5341 root root /usr/include/mpqc/chemistry/qc/mbptr12/r12ia_mpiiofile.h
-rw-r--r-- 4612 root root /usr/include/mpqc/chemistry/qc/mbptr12/r12ia_node0file.h
-rw-r--r-- 11899 root root /usr/include/mpqc/chemistry/qc/mbptr12/r12int_eval.h
-rw-r--r-- 2109 root root /usr/include/mpqc/chemistry/qc/mbptr12/svd.h
-rw-r--r-- 2312 root root /usr/include/mpqc/chemistry/qc/mbptr12/transform_123inds.h
-rw-r--r-- 2306 root root /usr/include/mpqc/chemistry/qc/mbptr12/transform_12inds.h
-rw-r--r-- 2306 root root /usr/include/mpqc/chemistry/qc/mbptr12/transform_13inds.h
-rw-r--r-- 4813 root root /usr/include/mpqc/chemistry/qc/mbptr12/transform_factory.h
-rw-r--r-- 2605 root root /usr/include/mpqc/chemistry/qc/mbptr12/transform_ijxy.h
-rw-r--r-- 2644 root root /usr/include/mpqc/chemistry/qc/mbptr12/transform_ikjy.h
-rw-r--r-- 2641 root root /usr/include/mpqc/chemistry/qc/mbptr12/transform_ixjy.h
-rw-r--r-- 7317 root root /usr/include/mpqc/chemistry/qc/mbptr12/transform_tbint.h
-rw-r--r-- 2805 root root /usr/include/mpqc/chemistry/qc/mbptr12/twobodygrid.h
-rw-r--r-- 9677 root root /usr/include/mpqc/chemistry/qc/mbptr12/vxb_eval_info.h
-rw-r--r-- 18 root root /usr/include/mpqc/chemistry/qc/oint3/LIBS.h
-rw-r--r-- 2765 root root /usr/include/mpqc/chemistry/qc/oint3/build.h
-rw-r--r-- 147 root root /usr/include/mpqc/chemistry/qc/psi/LIBS.h
-rw-r--r-- 1386 root root /usr/include/mpqc/chemistry/qc/psi/linkage.h
-rw-r--r-- 2055 root root /usr/include/mpqc/chemistry/qc/psi/psiexenv.h
-rw-r--r-- 892 root root /usr/include/mpqc/chemistry/qc/psi/psifile11.h
-rw-r--r-- 1784 root root /usr/include/mpqc/chemistry/qc/psi/psiinput.h
-rw-r--r-- 4839 root root /usr/include/mpqc/chemistry/qc/psi/psiwfn.h
-rw-r--r-- 178 root root /usr/include/mpqc/chemistry/qc/scf/LIBS.h
-rw-r--r-- 1811 root root /usr/include/mpqc/chemistry/qc/scf/clhf.h
-rw-r--r-- 3858 root root /usr/include/mpqc/chemistry/qc/scf/clhftmpl.h
-rw-r--r-- 3688 root root /usr/include/mpqc/chemistry/qc/scf/clscf.h
-rw-r--r-- 4125 root root /usr/include/mpqc/chemistry/qc/scf/effh.h
-rw-r--r-- 1484 root root /usr/include/mpqc/chemistry/qc/scf/gbuild.h
-rw-r--r-- 1841 root root /usr/include/mpqc/chemistry/qc/scf/hsoshf.h
-rw-r--r-- 2882 root root /usr/include/mpqc/chemistry/qc/scf/hsoshftmpl.h
-rw-r--r-- 5667 root root /usr/include/mpqc/chemistry/qc/scf/hsosscf.h
-rw-r--r-- 10835 root root /usr/include/mpqc/chemistry/qc/scf/lbgbuild.h
-rw-r--r-- 10835 root root /usr/include/mpqc/chemistry/qc/scf/lgbuild.h
-rw-r--r-- 1548 root root /usr/include/mpqc/chemistry/qc/scf/linkage.h
-rw-r--r-- 7232 root root /usr/include/mpqc/chemistry/qc/scf/ltbgrad.h
-rw-r--r-- 1774 root root /usr/include/mpqc/chemistry/qc/scf/osshf.h
-rw-r--r-- 4762 root root /usr/include/mpqc/chemistry/qc/scf/osshftmpl.h
-rw-r--r-- 3084 root root /usr/include/mpqc/chemistry/qc/scf/ossscf.h
-rw-r--r-- 9617 root root /usr/include/mpqc/chemistry/qc/scf/scf.h
-rw-r--r-- 1873 root root /usr/include/mpqc/chemistry/qc/scf/scflocal.h
-rw-r--r-- 2509 root root /usr/include/mpqc/chemistry/qc/scf/scfops.h
-rw-r--r-- 1960 root root /usr/include/mpqc/chemistry/qc/scf/tbgrad.h
-rw-r--r-- 1768 root root /usr/include/mpqc/chemistry/qc/scf/tchf.h
-rw-r--r-- 5100 root root /usr/include/mpqc/chemistry/qc/scf/tchftmpl.h
-rw-r--r-- 3203 root root /usr/include/mpqc/chemistry/qc/scf/tcscf.h
-rw-r--r-- 1975 root root /usr/include/mpqc/chemistry/qc/scf/uhf.h
-rw-r--r-- 2669 root root /usr/include/mpqc/chemistry/qc/scf/uhftmpl.h
-rw-r--r-- 4338 root root /usr/include/mpqc/chemistry/qc/scf/uscf.h
-rw-r--r-- 255 root root /usr/include/mpqc/chemistry/qc/wfn/LIBS.h
-rw-r--r-- 2417 root root /usr/include/mpqc/chemistry/qc/wfn/accum.h
-rw-r--r-- 8224 root root /usr/include/mpqc/chemistry/qc/wfn/density.h
-rw-r--r-- 2094 root root /usr/include/mpqc/chemistry/qc/wfn/eht.h
-rw-r--r-- 1490 root root /usr/include/mpqc/chemistry/qc/wfn/linkage.h
-rw-r--r-- 7899 root root /usr/include/mpqc/chemistry/qc/wfn/obwfn.h
-rw-r--r-- 1667 root root /usr/include/mpqc/chemistry/qc/wfn/orbital.h
-rw-r--r-- 2110 root root /usr/include/mpqc/chemistry/qc/wfn/solvent.h
-rw-r--r-- 9423 root root /usr/include/mpqc/chemistry/qc/wfn/wfn.h
-rw-r--r-- 57 root root /usr/include/mpqc/chemistry/solvent/LIBS.h
-rw-r--r-- 5523 root root /usr/include/mpqc/chemistry/solvent/bem.h
drwxr-xr-x 4096 root root /usr/include/mpqc/math/isosurf
drwxr-xr-x 4096 root root /usr/include/mpqc/math/optimize
drwxr-xr-x 4096 root root /usr/include/mpqc/math/scmat
drwxr-xr-x 4096 root root /usr/include/mpqc/math/symmetry
-rw-r--r-- 144 root root /usr/include/mpqc/math/isosurf/LIBS.h
-rw-r--r-- 2572 root root /usr/include/mpqc/math/isosurf/edge.h
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-rw-r--r-- 2425 root root /usr/include/mpqc/math/isosurf/isosurf.h
-rw-r--r-- 7887 root root /usr/include/mpqc/math/isosurf/shape.h
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-rw-r--r-- 4321 root root /usr/include/mpqc/math/isosurf/triangle.h
-rw-r--r-- 2639 root root /usr/include/mpqc/math/isosurf/tricoef.h
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-rw-r--r-- 2589 root root /usr/include/mpqc/math/isosurf/volume.h
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-rw-r--r-- 78 root root /usr/include/mpqc/math/optimize/LIBS.h
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-rw-r--r-- 168 root root /usr/include/mpqc/math/scmat/LIBS.h
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-rw-r--r-- 281 root root /usr/include/mpqc/math/scmat/util.h
-rw-r--r-- 4841 root root /usr/include/mpqc/math/scmat/vector3.h
-rw-r--r-- 1583 root root /usr/include/mpqc/math/scmat/vector3_i.h
-rw-r--r-- 136 root root /usr/include/mpqc/math/symmetry/LIBS.h
-rw-r--r-- 3232 root root /usr/include/mpqc/math/symmetry/corrtab.h
-rw-r--r-- 17553 root root /usr/include/mpqc/math/symmetry/pointgrp.h
drwxr-xr-x 4096 root root /usr/include/mpqc/util/class
drwxr-xr-x 4096 root root /usr/include/mpqc/util/container
drwxr-xr-x 4096 root root /usr/include/mpqc/util/group
drwxr-xr-x 4096 root root /usr/include/mpqc/util/keyval
drwxr-xr-x 4096 root root /usr/include/mpqc/util/misc
drwxr-xr-x 4096 root root /usr/include/mpqc/util/options
drwxr-xr-x 4096 root root /usr/include/mpqc/util/ref
drwxr-xr-x 4096 root root /usr/include/mpqc/util/render
drwxr-xr-x 4096 root root /usr/include/mpqc/util/state
-rw-r--r-- 78 root root /usr/include/mpqc/util/class/LIBS.h
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