freebsd-ports/science/mpqc/pkg-plist

bin/chkmpqcout
bin/molrender
bin/mpqc
bin/sc-config
bin/sc-mkf77sym
bin/scls
bin/scpr
bin/tkmolrender
include/chemistry/molecule/LIBS.h
include/chemistry/molecule/atominfo.h
include/chemistry/molecule/coor.h
include/chemistry/molecule/energy.h
include/chemistry/molecule/fdhess.h
include/chemistry/molecule/formula.h
include/chemistry/molecule/hess.h
include/chemistry/molecule/linkage.h
include/chemistry/molecule/localdef.h
include/chemistry/molecule/molecule.h
include/chemistry/molecule/molfreq.h
include/chemistry/molecule/molrender.h
include/chemistry/molecule/molshape.h
include/chemistry/molecule/simple.h
include/chemistry/molecule/taylor.h
include/chemistry/qc/basis/LIBS.h
include/chemistry/qc/basis/basis.h
include/chemistry/qc/basis/cartiter.h
include/chemistry/qc/basis/dercent.h
include/chemistry/qc/basis/extent.h
include/chemistry/qc/basis/f77sym.h
include/chemistry/qc/basis/files.h
include/chemistry/qc/basis/gaussbas.h
include/chemistry/qc/basis/gaussshell.h
include/chemistry/qc/basis/integral.h
include/chemistry/qc/basis/obint.h
include/chemistry/qc/basis/petite.h
include/chemistry/qc/basis/shellrot.h
include/chemistry/qc/basis/sobasis.h
include/chemistry/qc/basis/sointegral.h
include/chemistry/qc/basis/symmint.h
include/chemistry/qc/basis/tbint.h
include/chemistry/qc/basis/transform.h
include/chemistry/qc/dft/LIBS.h
include/chemistry/qc/dft/clks.h
include/chemistry/qc/dft/clkstmpl.h
include/chemistry/qc/dft/functional.h
include/chemistry/qc/dft/hsosks.h
include/chemistry/qc/dft/hsoskstmpl.h
include/chemistry/qc/dft/integrator.h
include/chemistry/qc/dft/linkage.h
include/chemistry/qc/dft/uks.h
include/chemistry/qc/dft/ukstmpl.h
include/chemistry/qc/intv3/LIBS.h
include/chemistry/qc/intv3/array.h
include/chemistry/qc/intv3/cartitv3.h
include/chemistry/qc/intv3/fjt.h
include/chemistry/qc/intv3/flags.h
include/chemistry/qc/intv3/int1e.h
include/chemistry/qc/intv3/int2e.h
include/chemistry/qc/intv3/intv3.h
include/chemistry/qc/intv3/macros.h
include/chemistry/qc/intv3/obintv3.h
include/chemistry/qc/intv3/storage.h
include/chemistry/qc/intv3/tbintv3.h
include/chemistry/qc/intv3/tformv3.h
include/chemistry/qc/intv3/types.h
include/chemistry/qc/intv3/utils.h
include/chemistry/qc/mbpt/LIBS.h
include/chemistry/qc/mbpt/bzerofast.h
include/chemistry/qc/mbpt/csgrad34qb.h
include/chemistry/qc/mbpt/csgrade12.h
include/chemistry/qc/mbpt/csgrads2pdm.h
include/chemistry/qc/mbpt/distsh.h
include/chemistry/qc/mbpt/hsosv1e1.h
include/chemistry/qc/mbpt/linkage.h
include/chemistry/qc/mbpt/mbpt.h
include/chemistry/qc/mbpt/mp2extrap.h
include/chemistry/qc/mbpt/util.h
include/chemistry/qc/oint3/LIBS.h
include/chemistry/qc/oint3/build.h
include/chemistry/qc/psi/LIBS.h
include/chemistry/qc/psi/linkage.h
include/chemistry/qc/psi/psiexenv.h
include/chemistry/qc/psi/psifile11.h
include/chemistry/qc/psi/psiinput.h
include/chemistry/qc/psi/psiwfn.h
include/chemistry/qc/scf/LIBS.h
include/chemistry/qc/scf/clhf.h
include/chemistry/qc/scf/clhftmpl.h
include/chemistry/qc/scf/clscf.h
include/chemistry/qc/scf/effh.h
include/chemistry/qc/scf/gbuild.h
include/chemistry/qc/scf/hsoshf.h
include/chemistry/qc/scf/hsoshftmpl.h
include/chemistry/qc/scf/hsosscf.h
include/chemistry/qc/scf/lbgbuild.h
include/chemistry/qc/scf/lgbuild.h
include/chemistry/qc/scf/linkage.h
include/chemistry/qc/scf/ltbgrad.h
include/chemistry/qc/scf/osshf.h
include/chemistry/qc/scf/osshftmpl.h
include/chemistry/qc/scf/ossscf.h
include/chemistry/qc/scf/scf.h
include/chemistry/qc/scf/scflocal.h
include/chemistry/qc/scf/scfops.h
include/chemistry/qc/scf/tbgrad.h
include/chemistry/qc/scf/tchf.h
include/chemistry/qc/scf/tchftmpl.h
include/chemistry/qc/scf/tcscf.h
include/chemistry/qc/scf/uhf.h
include/chemistry/qc/scf/uhftmpl.h
include/chemistry/qc/scf/uscf.h
include/chemistry/qc/wfn/LIBS.h
include/chemistry/qc/wfn/accum.h
include/chemistry/qc/wfn/density.h
include/chemistry/qc/wfn/eht.h
include/chemistry/qc/wfn/linkage.h
include/chemistry/qc/wfn/obwfn.h
include/chemistry/qc/wfn/orbital.h
include/chemistry/qc/wfn/solvent.h
include/chemistry/qc/wfn/wfn.h
include/chemistry/solvent/LIBS.h
include/chemistry/solvent/bem.h
include/math/isosurf/LIBS.h
include/math/isosurf/edge.h
include/math/isosurf/edgedefs.h
include/math/isosurf/implicit.h
include/math/isosurf/isosurf.h
include/math/isosurf/shape.h
include/math/isosurf/surf.h
include/math/isosurf/triangle.h
include/math/isosurf/tricoef.h
include/math/isosurf/vertex.h
include/math/isosurf/volume.h
include/math/isosurf/volume_i.h
include/math/linpackd/LIBS.h
include/math/linpackd/linpackd.h
include/math/optimize/LIBS.h
include/math/optimize/conv.h
include/math/optimize/diis.h
include/math/optimize/efc.h
include/math/optimize/function.h
include/math/optimize/gdiis.h
include/math/optimize/linkage.h
include/math/optimize/newton.h
include/math/optimize/opt.h
include/math/optimize/qnewton.h
include/math/optimize/scextrap.h
include/math/optimize/scextrapmat.h
include/math/optimize/steep.h
include/math/optimize/transform.h
include/math/optimize/update.h
include/math/scmat/LIBS.h
include/math/scmat/abstract.h
include/math/scmat/blkiter.h
include/math/scmat/block.h
include/math/scmat/blocked.h
include/math/scmat/cmatrix.h
include/math/scmat/dim.h
include/math/scmat/dist.h
include/math/scmat/disthql.h
include/math/scmat/elemop.h
include/math/scmat/f77sym.h
include/math/scmat/linkage.h
include/math/scmat/local.h
include/math/scmat/matrix.h
include/math/scmat/matrix3.h
include/math/scmat/matrix_i.h
include/math/scmat/mops.h
include/math/scmat/offset.h
include/math/scmat/repl.h
include/math/scmat/result.h
include/math/scmat/vector3.h
include/math/scmat/vector3_i.h
include/math/symmetry/LIBS.h
include/math/symmetry/corrtab.h
include/math/symmetry/pointgrp.h
include/scconfig.h
include/scdirlist.h
include/util/class/LIBS.h
include/util/class/class.h
include/util/class/classdefs.h
include/util/class/classkeydefs.h
include/util/class/classldefs.h
include/util/class/proxy.h
include/util/container/LIBS.h
include/util/container/ar2mac.h
include/util/container/ar2tem.h
include/util/container/armac.h
include/util/container/array.h
include/util/container/artem.h
include/util/container/avlmap.h
include/util/container/avlset.h
include/util/container/bitarray.h
include/util/container/carray.h
include/util/container/compare.h
include/util/container/eavlmmap.h
include/util/container/ssar2mac.h
include/util/container/ssar2tem.h
include/util/container/ssarmac.h
include/util/container/ssartem.h
include/util/group/LIBS.h
include/util/group/globcnt.h
include/util/group/hcube.h
include/util/group/linkage.h
include/util/group/memamsg.h
include/util/group/memiter.h
include/util/group/memmsg.h
include/util/group/memmtmpi.h
include/util/group/memory.h
include/util/group/memproc.h
include/util/group/memshm.h
include/util/group/message.h
include/util/group/messaget.h
include/util/group/messmpi.h
include/util/group/messshm.h
include/util/group/mstate.h
include/util/group/pool.h
include/util/group/pregtime.h
include/util/group/rnglock.h
include/util/group/thpthd.h
include/util/group/thpuma.h
include/util/group/thread.h
include/util/group/topology.h
include/util/keyval/LIBS.h
include/util/keyval/ipv2.h
include/util/keyval/ipv2_parse.h
include/util/keyval/ipv2_scan.h
include/util/keyval/keyval.h
include/util/keyval/keyvaldefs.h
include/util/keyval/keyvalval.h
include/util/misc/LIBS.h
include/util/misc/bug.h
include/util/misc/comptmpl.h
include/util/misc/compute.h
include/util/misc/exenv.h
include/util/misc/formio.h
include/util/misc/ieee.h
include/util/misc/newstring.h
include/util/misc/regtime.h
include/util/misc/scint.h
include/util/misc/timer.h
include/util/misc/units.h
include/util/options/GetLongOpt.h
include/util/options/LIBS.h
include/util/ref/LIBS.h
include/util/ref/identity.h
include/util/ref/ref.h
include/util/ref/reftestx.h
include/util/render/LIBS.h
include/util/render/algebra3.h
include/util/render/animate.h
include/util/render/appearance.h
include/util/render/color.h
include/util/render/find.h
include/util/render/linkage.h
include/util/render/material.h
include/util/render/object.h
include/util/render/oogl.h
include/util/render/parameter.h
include/util/render/polygons.h
include/util/render/polylines.h
include/util/render/polysphere.h
include/util/render/render.h
include/util/render/sphere.h
include/util/render/stack.h
include/util/render/transform.h
include/util/state/LIBS.h
include/util/state/array.h
include/util/state/linkage.h
include/util/state/proxy.h
include/util/state/state.h
include/util/state/state_bin.h
include/util/state/state_file.h
include/util/state/state_net.h
include/util/state/state_text.h
include/util/state/statein.h
include/util/state/stateio.h
include/util/state/stateout.h
include/util/state/translate.h
lib/libSCbasis.a
lib/libSCclass.a
lib/libSCcontainer.a
lib/libSCdft.a
lib/libSCgroup.a
lib/libSCintv3.a
lib/libSCisosurf.a
lib/libSCkeyval.a
lib/libSClinpackd.a
lib/libSCmbpt.a
lib/libSCmisc.a
lib/libSCmolecule.a
lib/libSCoint3.a
lib/libSCoptimize.a
lib/libSCoptions.a
lib/libSCpsi.a
lib/libSCref.a
lib/libSCrender.a
lib/libSCscf.a
lib/libSCscmat.a
lib/libSCsolvent.a
lib/libSCstate.a
lib/libSCsymmetry.a
lib/libSCwfn.a
lib/libmpqc.a
share/mpqc/2.1.2/basis/3-21PPg.kv
share/mpqc/2.1.2/basis/3-21PPgS.kv
share/mpqc/2.1.2/basis/3-21g.kv
share/mpqc/2.1.2/basis/3-21gS.kv
share/mpqc/2.1.2/basis/4-31g.kv
share/mpqc/2.1.2/basis/4-31gS.kv
share/mpqc/2.1.2/basis/4-31gSS.kv
share/mpqc/2.1.2/basis/6-311PPgL2d_2pR.kv
share/mpqc/2.1.2/basis/6-311PPgL3df_3pdR.kv
share/mpqc/2.1.2/basis/6-311PPgSS.kv
share/mpqc/2.1.2/basis/6-311g.kv
share/mpqc/2.1.2/basis/6-311gL2df_2pdR.kv
share/mpqc/2.1.2/basis/6-311gS.kv
share/mpqc/2.1.2/basis/6-311gSS.kv
share/mpqc/2.1.2/basis/6-31PPg.kv
share/mpqc/2.1.2/basis/6-31PPgS.kv
share/mpqc/2.1.2/basis/6-31PPgSS.kv
share/mpqc/2.1.2/basis/6-31PgS.kv
share/mpqc/2.1.2/basis/6-31g.kv
share/mpqc/2.1.2/basis/6-31gS.kv
share/mpqc/2.1.2/basis/6-31gSS.kv
share/mpqc/2.1.2/basis/aug-cc-pcv5z.kv
share/mpqc/2.1.2/basis/aug-cc-pcvdz.kv
share/mpqc/2.1.2/basis/aug-cc-pcvqz.kv
share/mpqc/2.1.2/basis/aug-cc-pcvtz.kv
share/mpqc/2.1.2/basis/aug-cc-pv5z.kv
share/mpqc/2.1.2/basis/aug-cc-pv6z.kv
share/mpqc/2.1.2/basis/aug-cc-pvdz.kv
share/mpqc/2.1.2/basis/aug-cc-pvqz.kv
share/mpqc/2.1.2/basis/aug-cc-pvtz.kv
share/mpqc/2.1.2/basis/cc-pcv5z.kv
share/mpqc/2.1.2/basis/cc-pcvdz.kv
share/mpqc/2.1.2/basis/cc-pcvqz.kv
share/mpqc/2.1.2/basis/cc-pcvtz.kv
share/mpqc/2.1.2/basis/cc-pv5z.kv
share/mpqc/2.1.2/basis/cc-pv6z.kv
share/mpqc/2.1.2/basis/cc-pvdz.kv
share/mpqc/2.1.2/basis/cc-pvqz.kv
share/mpqc/2.1.2/basis/cc-pvtz.kv
share/mpqc/2.1.2/basis/dz_LdunningR.kv
share/mpqc/2.1.2/basis/dzp_LdunningR.kv
share/mpqc/2.1.2/basis/dzp_P_diffuse_LdunningR.kv
share/mpqc/2.1.2/basis/midi_LhuzinagaR.kv
share/mpqc/2.1.2/basis/mini_LhuzinagaR.kv
share/mpqc/2.1.2/basis/mini_LscaledR.kv
share/mpqc/2.1.2/basis/nasa_ames_ano.kv
share/mpqc/2.1.2/basis/sto-2g.kv
share/mpqc/2.1.2/basis/sto-3g.kv
share/mpqc/2.1.2/basis/sto-3gS.kv
share/mpqc/2.1.2/basis/sto-6g.kv
share/mpqc/2.1.2/basis/tz_LdunningR.kv
share/mpqc/2.1.2/elisp/SC.el
share/mpqc/2.1.2/elisp/compile.el
share/mpqc/2.1.2/elisp/keyval.el
share/mpqc/2.1.2/elisp/mpqc.el
share/mpqc/2.1.2/perl/Molecule.pm
share/mpqc/2.1.2/perl/QCParse.pm
share/mpqc/2.1.2/perl/QCResult.pm
share/mpqc/2.1.2/atominfo.kv
share/mpqc/2.1.2/magic
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share/mpqc/ref/uscf_dh2ubp866311gssd2h.in
share/mpqc/ref/uscf_dh2ubp866311gssd2h.out
share/mpqc/ref/uscf_dh2ubp866311gssd2h.qci
share/mpqc/ref/uscf_dh2ubp86sto3gd2h.in
share/mpqc/ref/uscf_dh2ubp86sto3gd2h.out
share/mpqc/ref/uscf_dh2ubp86sto3gd2h.qci
share/mpqc/ref/uscf_dh2ubpw916311gssd2h.in
share/mpqc/ref/uscf_dh2ubpw916311gssd2h.out
share/mpqc/ref/uscf_dh2ubpw916311gssd2h.qci
share/mpqc/ref/uscf_dh2ubpw91sto3gd2h.in
share/mpqc/ref/uscf_dh2ubpw91sto3gd2h.out
share/mpqc/ref/uscf_dh2ubpw91sto3gd2h.qci
share/mpqc/ref/uscf_dh2uhf6311gssd2h.in
share/mpqc/ref/uscf_dh2uhf6311gssd2h.out
share/mpqc/ref/uscf_dh2uhf6311gssd2h.qci
share/mpqc/ref/uscf_dh2uhfb6311gssd2h.in
share/mpqc/ref/uscf_dh2uhfb6311gssd2h.out
share/mpqc/ref/uscf_dh2uhfb6311gssd2h.qci
share/mpqc/ref/uscf_dh2uhfbsto3gd2h.in
share/mpqc/ref/uscf_dh2uhfbsto3gd2h.out
share/mpqc/ref/uscf_dh2uhfbsto3gd2h.qci
share/mpqc/ref/uscf_dh2uhfg966311gssd2h.in
share/mpqc/ref/uscf_dh2uhfg966311gssd2h.out
share/mpqc/ref/uscf_dh2uhfg966311gssd2h.qci
share/mpqc/ref/uscf_dh2uhfg96sto3gd2h.in
share/mpqc/ref/uscf_dh2uhfg96sto3gd2h.out
share/mpqc/ref/uscf_dh2uhfg96sto3gd2h.qci
share/mpqc/ref/uscf_dh2uhfk6311gssd2h.in
share/mpqc/ref/uscf_dh2uhfk6311gssd2h.out
share/mpqc/ref/uscf_dh2uhfk6311gssd2h.qci
share/mpqc/ref/uscf_dh2uhfksto3gd2h.in
share/mpqc/ref/uscf_dh2uhfksto3gd2h.out
share/mpqc/ref/uscf_dh2uhfksto3gd2h.qci
share/mpqc/ref/uscf_dh2uhfs6311gssd2h.in
share/mpqc/ref/uscf_dh2uhfs6311gssd2h.out
share/mpqc/ref/uscf_dh2uhfs6311gssd2h.qci
share/mpqc/ref/uscf_dh2uhfssto3gd2h.in
share/mpqc/ref/uscf_dh2uhfssto3gd2h.out
share/mpqc/ref/uscf_dh2uhfssto3gd2h.qci
share/mpqc/ref/uscf_dh2uhfsto3gd2h.in
share/mpqc/ref/uscf_dh2uhfsto3gd2h.out
share/mpqc/ref/uscf_dh2uhfsto3gd2h.qci
share/mpqc/ref/uscf_dh2upbe6311gssd2h.in
share/mpqc/ref/uscf_dh2upbe6311gssd2h.out
share/mpqc/ref/uscf_dh2upbe6311gssd2h.qci
share/mpqc/ref/uscf_dh2upbesto3gd2h.in
share/mpqc/ref/uscf_dh2upbesto3gd2h.out
share/mpqc/ref/uscf_dh2upbesto3gd2h.qci
share/mpqc/ref/uscf_dh2upw916311gssd2h.in
share/mpqc/ref/uscf_dh2upw916311gssd2h.out
share/mpqc/ref/uscf_dh2upw916311gssd2h.qci
share/mpqc/ref/uscf_dh2upw91sto3gd2h.in
share/mpqc/ref/uscf_dh2upw91sto3gd2h.out
share/mpqc/ref/uscf_dh2upw91sto3gd2h.qci
share/mpqc/ref/uscf_dh2uspz816311gssd2h.in
share/mpqc/ref/uscf_dh2uspz816311gssd2h.out
share/mpqc/ref/uscf_dh2uspz816311gssd2h.qci
share/mpqc/ref/uscf_dh2uspz81sto3gd2h.in
share/mpqc/ref/uscf_dh2uspz81sto3gd2h.out
share/mpqc/ref/uscf_dh2uspz81sto3gd2h.qci
share/mpqc/ref/uscf_dh2uxalpha6311gssd2h.in
share/mpqc/ref/uscf_dh2uxalpha6311gssd2h.out
share/mpqc/ref/uscf_dh2uxalpha6311gssd2h.qci
share/mpqc/ref/uscf_dh2uxalphasto3gd2h.in
share/mpqc/ref/uscf_dh2uxalphasto3gd2h.out
share/mpqc/ref/uscf_dh2uxalphasto3gd2h.qci
share/mpqc/ref/uscf_h2oub3lyp6311gssc2v.in
share/mpqc/ref/uscf_h2oub3lyp6311gssc2v.out
share/mpqc/ref/uscf_h2oub3lyp6311gssc2v.qci
share/mpqc/ref/uscf_h2oub3lypsto3gc2v.in
share/mpqc/ref/uscf_h2oub3lypsto3gc2v.out
share/mpqc/ref/uscf_h2oub3lypsto3gc2v.qci
share/mpqc/ref/uscf_h2oub3p866311gssc2v.in
share/mpqc/ref/uscf_h2oub3p866311gssc2v.out
share/mpqc/ref/uscf_h2oub3p866311gssc2v.qci
share/mpqc/ref/uscf_h2oub3p86sto3gc2v.in
share/mpqc/ref/uscf_h2oub3p86sto3gc2v.out
share/mpqc/ref/uscf_h2oub3p86sto3gc2v.qci
share/mpqc/ref/uscf_h2oub3pw916311gssc2v.in
share/mpqc/ref/uscf_h2oub3pw916311gssc2v.out
share/mpqc/ref/uscf_h2oub3pw916311gssc2v.qci
share/mpqc/ref/uscf_h2oub3pw91sto3gc2v.in
share/mpqc/ref/uscf_h2oub3pw91sto3gc2v.out
share/mpqc/ref/uscf_h2oub3pw91sto3gc2v.qci
share/mpqc/ref/uscf_h2oublyp6311gssc2v.in
share/mpqc/ref/uscf_h2oublyp6311gssc2v.out
share/mpqc/ref/uscf_h2oublyp6311gssc2v.qci
share/mpqc/ref/uscf_h2oublypsto3gc2v.in
share/mpqc/ref/uscf_h2oublypsto3gc2v.out
share/mpqc/ref/uscf_h2oublypsto3gc2v.qci
share/mpqc/ref/uscf_h2oubp866311gssc2v.in
share/mpqc/ref/uscf_h2oubp866311gssc2v.out
share/mpqc/ref/uscf_h2oubp866311gssc2v.qci
share/mpqc/ref/uscf_h2oubp86sto3gc2v.in
share/mpqc/ref/uscf_h2oubp86sto3gc2v.out
share/mpqc/ref/uscf_h2oubp86sto3gc2v.qci
share/mpqc/ref/uscf_h2oubpw916311gssc2v.in
share/mpqc/ref/uscf_h2oubpw916311gssc2v.out
share/mpqc/ref/uscf_h2oubpw916311gssc2v.qci
share/mpqc/ref/uscf_h2oubpw91sto3gc2v.in
share/mpqc/ref/uscf_h2oubpw91sto3gc2v.out
share/mpqc/ref/uscf_h2oubpw91sto3gc2v.qci
share/mpqc/ref/uscf_h2ouhf6311gssc2v.in
share/mpqc/ref/uscf_h2ouhf6311gssc2v.out
share/mpqc/ref/uscf_h2ouhf6311gssc2v.qci
share/mpqc/ref/uscf_h2ouhfb6311gssc2v.in
share/mpqc/ref/uscf_h2ouhfb6311gssc2v.out
share/mpqc/ref/uscf_h2ouhfb6311gssc2v.qci
share/mpqc/ref/uscf_h2ouhfbsto3gc2v.in
share/mpqc/ref/uscf_h2ouhfbsto3gc2v.out
share/mpqc/ref/uscf_h2ouhfbsto3gc2v.qci
share/mpqc/ref/uscf_h2ouhfg966311gssc2v.in
share/mpqc/ref/uscf_h2ouhfg966311gssc2v.out
share/mpqc/ref/uscf_h2ouhfg966311gssc2v.qci
share/mpqc/ref/uscf_h2ouhfg96sto3gc2v.in
share/mpqc/ref/uscf_h2ouhfg96sto3gc2v.out
share/mpqc/ref/uscf_h2ouhfg96sto3gc2v.qci
share/mpqc/ref/uscf_h2ouhfk6311gssc2v.in
share/mpqc/ref/uscf_h2ouhfk6311gssc2v.out
share/mpqc/ref/uscf_h2ouhfk6311gssc2v.qci
share/mpqc/ref/uscf_h2ouhfksto3gc2v.in
share/mpqc/ref/uscf_h2ouhfksto3gc2v.out
share/mpqc/ref/uscf_h2ouhfksto3gc2v.qci
share/mpqc/ref/uscf_h2ouhfs6311gssc2v.in
share/mpqc/ref/uscf_h2ouhfs6311gssc2v.out
share/mpqc/ref/uscf_h2ouhfs6311gssc2v.qci
share/mpqc/ref/uscf_h2ouhfssto3gc2v.in
share/mpqc/ref/uscf_h2ouhfssto3gc2v.out
share/mpqc/ref/uscf_h2ouhfssto3gc2v.qci
share/mpqc/ref/uscf_h2ouhfsto3gc2v.in
share/mpqc/ref/uscf_h2ouhfsto3gc2v.out
share/mpqc/ref/uscf_h2ouhfsto3gc2v.qci
share/mpqc/ref/uscf_h2oupbe6311gssc2v.in
share/mpqc/ref/uscf_h2oupbe6311gssc2v.out
share/mpqc/ref/uscf_h2oupbe6311gssc2v.qci
share/mpqc/ref/uscf_h2oupbesto3gc2v.in
share/mpqc/ref/uscf_h2oupbesto3gc2v.out
share/mpqc/ref/uscf_h2oupbesto3gc2v.qci
share/mpqc/ref/uscf_h2oupw916311gssc2v.in
share/mpqc/ref/uscf_h2oupw916311gssc2v.out
share/mpqc/ref/uscf_h2oupw916311gssc2v.qci
share/mpqc/ref/uscf_h2oupw91sto3gc2v.in
share/mpqc/ref/uscf_h2oupw91sto3gc2v.out
share/mpqc/ref/uscf_h2oupw91sto3gc2v.qci
share/mpqc/ref/uscf_h2ouspz816311gssc2v.in
share/mpqc/ref/uscf_h2ouspz816311gssc2v.out
share/mpqc/ref/uscf_h2ouspz816311gssc2v.qci
share/mpqc/ref/uscf_h2ouspz81sto3gc2v.in
share/mpqc/ref/uscf_h2ouspz81sto3gc2v.out
share/mpqc/ref/uscf_h2ouspz81sto3gc2v.qci
share/mpqc/ref/uscf_h2ouxalpha6311gssc2v.in
share/mpqc/ref/uscf_h2ouxalpha6311gssc2v.out
share/mpqc/ref/uscf_h2ouxalpha6311gssc2v.qci
share/mpqc/ref/uscf_h2ouxalphasto3gc2v.in
share/mpqc/ref/uscf_h2ouxalphasto3gc2v.out
share/mpqc/ref/uscf_h2ouxalphasto3gc2v.qci
@dirrm share/mpqc/2.1.2/basis
@dirrm share/mpqc/2.1.2/elisp
@dirrm share/mpqc/2.1.2/perl
@dirrm share/mpqc/2.1.2
@dirrm share/mpqc/ref
@dirrm share/mpqc
@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