Sophie

Sophie

distrib > Mandriva > 9.1 > ppc > media > contrib > by-pkgid > 263386785cefb9ae5d63b926d214d809 > files > 962

mpqc-2.1.2-4mdk.ppc.rpm

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<hr><h1>MPQC File List</h1>Here is a list of all documented files with brief descriptions:<ul>
<li><b>abstract.h</b> <a href="abstract_h-source.html">[code]</a><li><b>accum.h</b> <a href="accum_h-source.html">[code]</a><li><b>algebra3.h</b> <a href="algebra3_h-source.html">[code]</a><li><b>animate.h</b> <a href="animate_h-source.html">[code]</a><li><b>appearance.h</b> <a href="appearance_h-source.html">[code]</a><li><b>ar2tem.h</b> <a href="ar2tem_h-source.html">[code]</a><li><b>chemistry/qc/intv3/array.h</b> <a href="chemistry_qc_intv3_array_h-source.html">[code]</a><li><b>util/container/array.h</b> <a href="util_container_array_h-source.html">[code]</a><li><b>util/state/array.h</b> <a href="util_state_array_h-source.html">[code]</a><li><b>artem.h</b> <a href="artem_h-source.html">[code]</a><li><b>atominfo.h</b> <a href="atominfo_h-source.html">[code]</a><li><b>avlmap.h</b> <a href="avlmap_h-source.html">[code]</a><li><b>avlset.h</b> <a href="avlset_h-source.html">[code]</a><li><b>basis.h</b> <a href="basis_h-source.html">[code]</a><li><b>bem.h</b> <a href="bem_h-source.html">[code]</a><li><b>bitarray.h</b> <a href="bitarray_h-source.html">[code]</a><li><b>blkiter.h</b> <a href="blkiter_h-source.html">[code]</a><li><b>block.h</b> <a href="block_h-source.html">[code]</a><li><b>blocked.h</b> <a href="blocked_h-source.html">[code]</a><li><b>bug.h</b> <a href="bug_h-source.html">[code]</a><li><b>build.h</b> <a href="build_h-source.html">[code]</a><li><b>bzerofast.h</b> <a href="bzerofast_h-source.html">[code]</a><li><b>carray.h</b> <a href="carray_h-source.html">[code]</a><li><b>cartiter.h</b> <a href="cartiter_h-source.html">[code]</a><li><b>cartitv3.h</b> <a href="cartitv3_h-source.html">[code]</a><li><b>class.h</b> <a href="class_h-source.html">[code]</a><li><b>classdefs.h</b> <a href="classdefs_h-source.html">[code]</a><li><b>classkeydefs.h</b> <a href="classkeydefs_h-source.html">[code]</a><li><b>classldefs.h</b> <a href="classldefs_h-source.html">[code]</a><li><b>clhf.h</b> <a href="clhf_h-source.html">[code]</a><li><b>clhftmpl.h</b> <a href="clhftmpl_h-source.html">[code]</a><li><b>clks.h</b> <a href="clks_h-source.html">[code]</a><li><b>clkstmpl.h</b> <a href="clkstmpl_h-source.html">[code]</a><li><b>clscf.h</b> <a href="clscf_h-source.html">[code]</a><li><b>cmatrix.h</b> <a href="cmatrix_h-source.html">[code]</a><li><b>color.h</b> <a href="color_h-source.html">[code]</a><li><b>compare.h</b> <a href="compare_h-source.html">[code]</a><li><b>comptmpl.h</b> <a href="comptmpl_h-source.html">[code]</a><li><b>compute.h</b> <a href="compute_h-source.html">[code]</a><li><b>conv.h</b> <a href="conv_h-source.html">[code]</a><li><b>coor.h</b> <a href="coor_h-source.html">[code]</a><li><b>corrtab.h</b> <a href="corrtab_h-source.html">[code]</a><li><b>csgrad34qb.h</b> <a href="csgrad34qb_h-source.html">[code]</a><li><b>csgrade12.h</b> <a href="csgrade12_h-source.html">[code]</a><li><b>csgrads2pdm.h</b> <a href="csgrads2pdm_h-source.html">[code]</a><li><b>density.h</b> <a href="density_h-source.html">[code]</a><li><b>dercent.h</b> <a href="dercent_h-source.html">[code]</a><li><b>diis.h</b> <a href="diis_h-source.html">[code]</a><li><b>dim.h</b> <a href="dim_h-source.html">[code]</a><li><b>dist.h</b> <a href="dist_h-source.html">[code]</a><li><b>disthql.h</b> <a href="disthql_h-source.html">[code]</a><li><b>distsh.h</b> <a href="distsh_h-source.html">[code]</a><li><b>eavlmmap.h</b> <a href="eavlmmap_h-source.html">[code]</a><li><b>edge.h</b> <a href="edge_h-source.html">[code]</a><li><b>edgedefs.h</b> <a href="edgedefs_h-source.html">[code]</a><li><b>efc.h</b> <a href="efc_h-source.html">[code]</a><li><b>effh.h</b> <a href="effh_h-source.html">[code]</a><li><b>eht.h</b> <a href="eht_h-source.html">[code]</a><li><b>elemop.h</b> <a href="elemop_h-source.html">[code]</a><li><b>energy.h</b> <a href="energy_h-source.html">[code]</a><li><b>energyi.h</b> <a href="energyi_h-source.html">[code]</a><li><b>exenv.h</b> <a href="exenv_h-source.html">[code]</a><li><b>extent.h</b> <a href="extent_h-source.html">[code]</a><li><b>fdhess.h</b> <a href="fdhess_h-source.html">[code]</a><li><b>files.h</b> <a href="files_h-source.html">[code]</a><li><b>find.h</b> <a href="find_h-source.html">[code]</a><li><b>fjt.h</b> <a href="fjt_h-source.html">[code]</a><li><b>flags.h</b> <a href="flags_h-source.html">[code]</a><li><b>formio.h</b> <a href="formio_h-source.html">[code]</a><li><b>formula.h</b> <a href="formula_h-source.html">[code]</a><li><b>function.h</b> <a href="function_h-source.html">[code]</a><li><b>functional.h</b> <a href="functional_h-source.html">[code]</a><li><b>functioni.h</b> <a href="functioni_h-source.html">[code]</a><li><b>gaussbas.h</b> <a href="gaussbas_h-source.html">[code]</a><li><b>gaussshell.h</b> <a href="gaussshell_h-source.html">[code]</a><li><b>gbuild.h</b> <a href="gbuild_h-source.html">[code]</a><li><b>gdiis.h</b> <a href="gdiis_h-source.html">[code]</a><li><b>GetLongOpt.h</b> <a href="GetLongOpt_h-source.html">[code]</a><li><b>globcnt.h</b> <a href="globcnt_h-source.html">[code]</a><li><b>hcube.h</b> <a href="hcube_h-source.html">[code]</a><li><b>hess.h</b> <a href="hess_h-source.html">[code]</a><li><b>hsoshf.h</b> <a href="hsoshf_h-source.html">[code]</a><li><b>hsoshftmpl.h</b> <a href="hsoshftmpl_h-source.html">[code]</a><li><b>hsosks.h</b> <a href="hsosks_h-source.html">[code]</a><li><b>hsoskstmpl.h</b> <a href="hsoskstmpl_h-source.html">[code]</a><li><b>hsosscf.h</b> <a href="hsosscf_h-source.html">[code]</a><li><b>hsosv1e1.h</b> <a href="hsosv1e1_h-source.html">[code]</a><li><b>identity.h</b> <a href="identity_h-source.html">[code]</a><li><b>ieee.h</b> <a href="ieee_h-source.html">[code]</a><li><b>implicit.h</b> <a href="implicit_h-source.html">[code]</a><li><b>int1e.h</b> <a href="int1e_h-source.html">[code]</a><li><b>int2e.h</b> <a href="int2e_h-source.html">[code]</a><li><b>integral.h</b> <a href="integral_h-source.html">[code]</a><li><b>integrator.h</b> <a href="integrator_h-source.html">[code]</a><li><b>intv3.h</b> <a href="intv3_h-source.html">[code]</a><li><b>ipv2.h</b> <a href="ipv2_h-source.html">[code]</a><li><b>ipv2_scan.h</b> <a href="ipv2_scan_h-source.html">[code]</a><li><b>isosurf.h</b> <a href="isosurf_h-source.html">[code]</a><li><b>keyval.h</b> <a href="keyval_h-source.html">[code]</a><li><b>keyvaldefs.h</b> <a href="keyvaldefs_h-source.html">[code]</a><li><b>keyvali.h</b> <a href="keyvali_h-source.html">[code]</a><li><b>keyvalval.h</b> <a href="keyvalval_h-source.html">[code]</a><li><b>lbgbuild.h</b> <a href="lbgbuild_h-source.html">[code]</a><li><b>lgbuild.h</b> <a href="lgbuild_h-source.html">[code]</a><li><b>bin/molrender/LIBS.h</b> <a href="bin_molrender_LIBS_h-source.html">[code]</a><li><b>bin/mpqc/LIBS.h</b> <a href="bin_mpqc_LIBS_h-source.html">[code]</a><li><b>bin/orbixme/LIBS.h</b> <a href="bin_orbixme_LIBS_h-source.html">[code]</a><li><b>bin/scls/LIBS.h</b> <a href="bin_scls_LIBS_h-source.html">[code]</a><li><b>bin/scpr/LIBS.h</b> <a href="bin_scpr_LIBS_h-source.html">[code]</a><li><b>lib/chemistry/molecule/LIBS.h</b> <a href="lib_chemistry_molecule_LIBS_h-source.html">[code]</a><li><b>lib/chemistry/qc/basis/LIBS.h</b> <a href="lib_chemistry_qc_basis_LIBS_h-source.html">[code]</a><li><b>lib/chemistry/qc/dft/LIBS.h</b> <a href="lib_chemistry_qc_dft_LIBS_h-source.html">[code]</a><li><b>lib/chemistry/qc/intv3/LIBS.h</b> <a href="lib_chemistry_qc_intv3_LIBS_h-source.html">[code]</a><li><b>lib/chemistry/qc/mbpt/LIBS.h</b> <a href="lib_chemistry_qc_mbpt_LIBS_h-source.html">[code]</a><li><b>lib/chemistry/qc/oint3/LIBS.h</b> <a href="lib_chemistry_qc_oint3_LIBS_h-source.html">[code]</a><li><b>lib/chemistry/qc/psi/LIBS.h</b> <a href="lib_chemistry_qc_psi_LIBS_h-source.html">[code]</a><li><b>lib/chemistry/qc/scf/LIBS.h</b> <a href="lib_chemistry_qc_scf_LIBS_h-source.html">[code]</a><li><b>lib/chemistry/qc/wfn/LIBS.h</b> <a href="lib_chemistry_qc_wfn_LIBS_h-source.html">[code]</a><li><b>lib/chemistry/solvent/LIBS.h</b> <a href="lib_chemistry_solvent_LIBS_h-source.html">[code]</a><li><b>lib/math/isosurf/LIBS.h</b> <a href="lib_math_isosurf_LIBS_h-source.html">[code]</a><li><b>lib/math/linpackd/LIBS.h</b> <a href="lib_math_linpackd_LIBS_h-source.html">[code]</a><li><b>lib/math/optimize/LIBS.h</b> <a href="lib_math_optimize_LIBS_h-source.html">[code]</a><li><b>lib/math/scmat/LIBS.h</b> <a href="lib_math_scmat_LIBS_h-source.html">[code]</a><li><b>lib/math/symmetry/LIBS.h</b> <a href="lib_math_symmetry_LIBS_h-source.html">[code]</a><li><b>lib/util/class/LIBS.h</b> <a href="lib_util_class_LIBS_h-source.html">[code]</a><li><b>lib/util/container/LIBS.h</b> <a href="lib_util_container_LIBS_h-source.html">[code]</a><li><b>lib/util/group/LIBS.h</b> <a href="lib_util_group_LIBS_h-source.html">[code]</a><li><b>lib/util/keyval/LIBS.h</b> <a href="lib_util_keyval_LIBS_h-source.html">[code]</a><li><b>lib/util/misc/LIBS.h</b> <a href="lib_util_misc_LIBS_h-source.html">[code]</a><li><b>lib/util/options/LIBS.h</b> <a href="lib_util_options_LIBS_h-source.html">[code]</a><li><b>lib/util/ref/LIBS.h</b> <a href="lib_util_ref_LIBS_h-source.html">[code]</a><li><b>lib/util/render/LIBS.h</b> <a href="lib_util_render_LIBS_h-source.html">[code]</a><li><b>lib/util/state/LIBS.h</b> <a href="lib_util_state_LIBS_h-source.html">[code]</a><li><b>chemistry/molecule/linkage.h</b> <a href="chemistry_molecule_linkage_h-source.html">[code]</a><li><b>chemistry/qc/dft/linkage.h</b> <a href="chemistry_qc_dft_linkage_h-source.html">[code]</a><li><b>chemistry/qc/mbpt/linkage.h</b> <a href="chemistry_qc_mbpt_linkage_h-source.html">[code]</a><li><b>chemistry/qc/psi/linkage.h</b> <a href="chemistry_qc_psi_linkage_h-source.html">[code]</a><li><b>chemistry/qc/scf/linkage.h</b> <a href="chemistry_qc_scf_linkage_h-source.html">[code]</a><li><b>chemistry/qc/wfn/linkage.h</b> <a href="chemistry_qc_wfn_linkage_h-source.html">[code]</a><li><b>math/optimize/linkage.h</b> <a href="math_optimize_linkage_h-source.html">[code]</a><li><b>math/scmat/linkage.h</b> <a href="math_scmat_linkage_h-source.html">[code]</a><li><b>util/group/linkage.h</b> <a href="util_group_linkage_h-source.html">[code]</a><li><b>util/render/linkage.h</b> <a href="util_render_linkage_h-source.html">[code]</a><li><b>util/state/linkage.h</b> <a href="util_state_linkage_h-source.html">[code]</a><li><b>linpackd.h</b> <a href="linpackd_h-source.html">[code]</a><li><b>local.h</b> <a href="local_h-source.html">[code]</a><li><b>localdef.h</b> <a href="localdef_h-source.html">[code]</a><li><b>ltbgrad.h</b> <a href="ltbgrad_h-source.html">[code]</a><li><b>macros.h</b> <a href="macros_h-source.html">[code]</a><li><b>material.h</b> <a href="material_h-source.html">[code]</a><li><b>matrix.h</b> <a href="matrix_h-source.html">[code]</a><li><b>matrix3.h</b> <a href="matrix3_h-source.html">[code]</a><li><b>matrix_i.h</b> <a href="matrix_i_h-source.html">[code]</a><li><b>mbpt.h</b> <a href="mbpt_h-source.html">[code]</a><li><b>memamsg.h</b> <a href="memamsg_h-source.html">[code]</a><li><b>memiter.h</b> <a href="memiter_h-source.html">[code]</a><li><b>memmsg.h</b> <a href="memmsg_h-source.html">[code]</a><li><b>memmtmpi.h</b> <a href="memmtmpi_h-source.html">[code]</a><li><b>memory.h</b> <a href="memory_h-source.html">[code]</a><li><b>memproc.h</b> <a href="memproc_h-source.html">[code]</a><li><b>memshm.h</b> <a href="memshm_h-source.html">[code]</a><li><b>message.h</b> <a href="message_h-source.html">[code]</a><li><b>messaget.h</b> <a href="messaget_h-source.html">[code]</a><li><b>messmpi.h</b> <a href="messmpi_h-source.html">[code]</a><li><b>messshm.h</b> <a href="messshm_h-source.html">[code]</a><li><b>molecule.h</b> <a href="molecule_h-source.html">[code]</a><li><b>moleculei.h</b> <a href="moleculei_h-source.html">[code]</a><li><b>molfreq.h</b> <a href="molfreq_h-source.html">[code]</a><li><b>molrender.h</b> <a href="molrender_h-source.html">[code]</a><li><b>molshape.h</b> <a href="molshape_h-source.html">[code]</a><li><b>mops.h</b> <a href="mops_h-source.html">[code]</a><li><b>mp2extrap.h</b> <a href="mp2extrap_h-source.html">[code]</a><li><b>mpqcin.h</b> <a href="mpqcin_h-source.html">[code]</a><li><b>mstate.h</b> <a href="mstate_h-source.html">[code]</a><li><b>newstring.h</b> <a href="newstring_h-source.html">[code]</a><li><b>newton.h</b> <a href="newton_h-source.html">[code]</a><li><b>obint.h</b> <a href="obint_h-source.html">[code]</a><li><b>obintv3.h</b> <a href="obintv3_h-source.html">[code]</a><li><b>object.h</b> <a href="object_h-source.html">[code]</a><li><b>obwfn.h</b> <a href="obwfn_h-source.html">[code]</a><li><b>offset.h</b> <a href="offset_h-source.html">[code]</a><li><b>oogl.h</b> <a href="oogl_h-source.html">[code]</a><li><b>opt.h</b> <a href="opt_h-source.html">[code]</a><li><b>optimizei.h</b> <a href="optimizei_h-source.html">[code]</a><li><b>orbital.h</b> <a href="orbital_h-source.html">[code]</a><li><b>osshf.h</b> <a href="osshf_h-source.html">[code]</a><li><b>osshftmpl.h</b> <a href="osshftmpl_h-source.html">[code]</a><li><b>ossscf.h</b> <a href="ossscf_h-source.html">[code]</a><li><b>parameter.h</b> <a href="parameter_h-source.html">[code]</a><li><b>petite.h</b> <a href="petite_h-source.html">[code]</a><li><b>pointgrp.h</b> <a href="pointgrp_h-source.html">[code]</a><li><b>polygons.h</b> <a href="polygons_h-source.html">[code]</a><li><b>polylines.h</b> <a href="polylines_h-source.html">[code]</a><li><b>polysphere.h</b> <a href="polysphere_h-source.html">[code]</a><li><b>pool.h</b> <a href="pool_h-source.html">[code]</a><li><b>pregtime.h</b> 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