path: root/science/dftbplus/pkg-plist

%%TRANSPORT%%bin/buildwire
bin/calc_timeprop_maxpoldir
bin/calc_timeprop_spectrum
bin/dftb+
%%TRANSPORT%%bin/flux
bin/integvalue
%%TRANSPORT%%bin/makecube
bin/modes
%%TRANSPORT%%bin/phonons
bin/polyvalue
bin/printunits
%%TRANSPORT%%bin/setupgeom
bin/skderivs
bin/splvalue
bin/waveplot
include/dftbplus.h
include/dftbplus/modfiles/ddcosmo_core.mod
include/dftbplus/modfiles/ddcosmo_solver.mod
include/dftbplus/modfiles/dftbp_capi.mod
include/dftbplus/modfiles/dftbp_common_accuracy.mod
include/dftbplus/modfiles/dftbp_common_assert.mod
include/dftbplus/modfiles/dftbp_common_atomicmass.mod
include/dftbplus/modfiles/dftbp_common_atomicrad.mod
%%MPIX%%include/dftbplus/modfiles/dftbp_common_blacsenv.mod
include/dftbplus/modfiles/dftbp_common_coherence.mod
include/dftbplus/modfiles/dftbp_common_constants.mod
include/dftbplus/modfiles/dftbp_common_envcheck.mod
include/dftbplus/modfiles/dftbp_common_environment.mod
include/dftbplus/modfiles/dftbp_common_file.mod
include/dftbplus/modfiles/dftbp_common_filesystem.mod
include/dftbplus/modfiles/dftbp_common_globalenv.mod
include/dftbplus/modfiles/dftbp_common_hamiltoniantypes.mod
include/dftbplus/modfiles/dftbp_common_memman.mod
%%MPIX%%include/dftbplus/modfiles/dftbp_common_mpienv.mod
include/dftbplus/modfiles/dftbp_common_optarg.mod
include/dftbplus/modfiles/dftbp_common_schedule.mod
include/dftbplus/modfiles/dftbp_common_status.mod
include/dftbplus/modfiles/dftbp_common_timer.mod
include/dftbplus/modfiles/dftbp_common_timerarray.mod
include/dftbplus/modfiles/dftbp_common_unitconversion.mod
include/dftbplus/modfiles/dftbp_common_version.mod
include/dftbplus/modfiles/dftbp_derivs_fermihelper.mod
include/dftbplus/modfiles/dftbp_derivs_linearresponse.mod
include/dftbplus/modfiles/dftbp_derivs_numderivs2.mod
include/dftbplus/modfiles/dftbp_derivs_perturb.mod
include/dftbplus/modfiles/dftbp_derivs_rotatedegen.mod
include/dftbplus/modfiles/dftbp_dftb_blockpothelper.mod
include/dftbplus/modfiles/dftbp_dftb_bondpopulations.mod
include/dftbplus/modfiles/dftbp_dftb_boundarycond.mod
include/dftbplus/modfiles/dftbp_dftb_chargeconstr.mod
include/dftbplus/modfiles/dftbp_dftb_charges.mod
include/dftbplus/modfiles/dftbp_dftb_coordnumber.mod
include/dftbplus/modfiles/dftbp_dftb_coulomb.mod
include/dftbplus/modfiles/dftbp_dftb_dense.mod
include/dftbplus/modfiles/dftbp_dftb_densitymatrix.mod
include/dftbplus/modfiles/dftbp_dftb_determinants.mod
include/dftbplus/modfiles/dftbp_dftb_dftbplusu.mod
include/dftbplus/modfiles/dftbp_dftb_dftd3param.mod
include/dftbplus/modfiles/dftbp_dftb_dftd4param.mod
include/dftbplus/modfiles/dftbp_dftb_dispcommon.mod
include/dftbplus/modfiles/dftbp_dftb_dispdftd4.mod
include/dftbplus/modfiles/dftbp_dftb_dispersions.mod
include/dftbplus/modfiles/dftbp_dftb_dispiface.mod
%%MBD%%include/dftbplus/modfiles/dftbp_dftb_dispmbd.mod
include/dftbplus/modfiles/dftbp_dftb_dispslaterkirkw.mod
include/dftbplus/modfiles/dftbp_dftb_dispuff.mod
include/dftbplus/modfiles/dftbp_dftb_dispuffdata.mod
include/dftbplus/modfiles/dftbp_dftb_elecconstraints.mod
include/dftbplus/modfiles/dftbp_dftb_elstatpot.mod
include/dftbplus/modfiles/dftbp_dftb_encharges.mod
include/dftbplus/modfiles/dftbp_dftb_energytypes.mod
include/dftbplus/modfiles/dftbp_dftb_etemp.mod
include/dftbplus/modfiles/dftbp_dftb_extcharges.mod
include/dftbplus/modfiles/dftbp_dftb_extfields.mod
include/dftbplus/modfiles/dftbp_dftb_forces.mod
include/dftbplus/modfiles/dftbp_dftb_getenergies.mod
include/dftbplus/modfiles/dftbp_dftb_h5correction.mod
include/dftbplus/modfiles/dftbp_dftb_halogenx.mod
include/dftbplus/modfiles/dftbp_dftb_hamiltonian.mod
include/dftbplus/modfiles/dftbp_dftb_nonscc.mod
include/dftbplus/modfiles/dftbp_dftb_onsitecorrection.mod
include/dftbplus/modfiles/dftbp_dftb_orbitalequiv.mod
include/dftbplus/modfiles/dftbp_dftb_periodic.mod
include/dftbplus/modfiles/dftbp_dftb_pmlocalisation.mod
include/dftbplus/modfiles/dftbp_dftb_populations.mod
include/dftbplus/modfiles/dftbp_dftb_potentials.mod
include/dftbplus/modfiles/dftbp_dftb_rangeseparated.mod
include/dftbplus/modfiles/dftbp_dftb_repulsive_chimesrep.mod
include/dftbplus/modfiles/dftbp_dftb_repulsive_pairrepulsive.mod
include/dftbplus/modfiles/dftbp_dftb_repulsive_polyrep.mod
include/dftbplus/modfiles/dftbp_dftb_repulsive_repulsive.mod
include/dftbplus/modfiles/dftbp_dftb_repulsive_repulsivecont.mod
include/dftbplus/modfiles/dftbp_dftb_repulsive_repulsivelist.mod
include/dftbplus/modfiles/dftbp_dftb_repulsive_splinerep.mod
include/dftbplus/modfiles/dftbp_dftb_repulsive_twobodyrep.mod
include/dftbplus/modfiles/dftbp_dftb_scc.mod
include/dftbplus/modfiles/dftbp_dftb_sccinit.mod
include/dftbplus/modfiles/dftbp_dftb_shift.mod
include/dftbplus/modfiles/dftbp_dftb_shortgamma.mod
include/dftbplus/modfiles/dftbp_dftb_shortgammafuncs.mod
include/dftbplus/modfiles/dftbp_dftb_simpledftd3.mod
include/dftbplus/modfiles/dftbp_dftb_sk.mod
include/dftbplus/modfiles/dftbp_dftb_slakocont.mod
include/dftbplus/modfiles/dftbp_dftb_slakoeqgrid.mod
include/dftbplus/modfiles/dftbp_dftb_sparse2dense.mod
include/dftbplus/modfiles/dftbp_dftb_spin.mod
include/dftbplus/modfiles/dftbp_dftb_spinorbit.mod
include/dftbplus/modfiles/dftbp_dftb_stress.mod
include/dftbplus/modfiles/dftbp_dftb_thirdorder.mod
include/dftbplus/modfiles/dftbp_dftb_uniquehubbard.mod
include/dftbplus/modfiles/dftbp_dftb_vdwdata.mod
include/dftbplus/modfiles/dftbp_dftbplus_eigenvects.mod
include/dftbplus/modfiles/dftbp_dftbplus_elstattypes.mod
include/dftbplus/modfiles/dftbp_dftbplus_forcetypes.mod
include/dftbplus/modfiles/dftbp_dftbplus_hsdhelpers.mod
include/dftbplus/modfiles/dftbp_dftbplus_initprogram.mod
include/dftbplus/modfiles/dftbp_dftbplus_input_fileaccess.mod
include/dftbplus/modfiles/dftbp_dftbplus_input_geoopt.mod
include/dftbplus/modfiles/dftbp_dftbplus_inputconversion.mod
include/dftbplus/modfiles/dftbp_dftbplus_inputdata.mod
include/dftbplus/modfiles/dftbp_dftbplus_main.mod
include/dftbplus/modfiles/dftbp_dftbplus_mainapi.mod
include/dftbplus/modfiles/dftbp_dftbplus_mainio.mod
include/dftbplus/modfiles/dftbp_dftbplus_oldcompat.mod
include/dftbplus/modfiles/dftbp_dftbplus_outputfiles.mod
include/dftbplus/modfiles/dftbp_dftbplus_parser.mod
include/dftbplus/modfiles/dftbp_dftbplus_qdepextpotgen.mod
include/dftbplus/modfiles/dftbp_dftbplus_qdepextpotgenc.mod
include/dftbplus/modfiles/dftbp_dftbplus_qdepextpotproxy.mod
include/dftbplus/modfiles/dftbp_dftbplus_specieslist.mod
include/dftbplus/modfiles/dftbp_dftbplus_transportio.mod
include/dftbplus/modfiles/dftbp_elecsolvers_elecsolvers.mod
include/dftbplus/modfiles/dftbp_elecsolvers_elecsolvertypes.mod
include/dftbplus/modfiles/dftbp_elecsolvers_elsicsc.mod
include/dftbplus/modfiles/dftbp_elecsolvers_elsisolver.mod
include/dftbplus/modfiles/dftbp_extlibs_arpack.mod
include/dftbplus/modfiles/dftbp_extlibs_blas.mod
include/dftbplus/modfiles/dftbp_extlibs_chimes.mod
include/dftbplus/modfiles/dftbp_extlibs_ddcosmo.mod
include/dftbplus/modfiles/dftbp_extlibs_dftd4refs.mod
include/dftbplus/modfiles/dftbp_extlibs_elsiiface.mod
%%SOCKETS%%include/dftbplus/modfiles/dftbp_extlibs_fsockets.mod
include/dftbplus/modfiles/dftbp_extlibs_lapack.mod
include/dftbplus/modfiles/dftbp_extlibs_lebedev.mod
include/dftbplus/modfiles/dftbp_extlibs_magma.mod
include/dftbplus/modfiles/dftbp_extlibs_mpifx.mod
%%TRANSPORT%%include/dftbplus/modfiles/dftbp_extlibs_negf.mod
include/dftbplus/modfiles/dftbp_extlibs_plumed.mod
include/dftbplus/modfiles/dftbp_extlibs_poisson.mod
include/dftbplus/modfiles/dftbp_extlibs_scalapackfx.mod
include/dftbplus/modfiles/dftbp_extlibs_sdftd3.mod
include/dftbplus/modfiles/dftbp_extlibs_tblite.mod
include/dftbplus/modfiles/dftbp_extlibs_xmlf90.mod
include/dftbplus/modfiles/dftbp_geoopt_conjgrad.mod
include/dftbplus/modfiles/dftbp_geoopt_deprecated_steepdesc.mod
include/dftbplus/modfiles/dftbp_geoopt_filter.mod
include/dftbplus/modfiles/dftbp_geoopt_fire.mod
include/dftbplus/modfiles/dftbp_geoopt_gdiis.mod
include/dftbplus/modfiles/dftbp_geoopt_geoopt.mod
include/dftbplus/modfiles/dftbp_geoopt_lbfgs.mod
include/dftbplus/modfiles/dftbp_geoopt_lbfgs2.mod
include/dftbplus/modfiles/dftbp_geoopt_linemin.mod
include/dftbplus/modfiles/dftbp_geoopt_optimizer.mod
include/dftbplus/modfiles/dftbp_geoopt_package.mod
include/dftbplus/modfiles/dftbp_geoopt_rationalfunc.mod
include/dftbplus/modfiles/dftbp_geoopt_steepdesc.mod
include/dftbplus/modfiles/dftbp_hsdapi.mod
include/dftbplus/modfiles/dftbp_io_charmanip.mod
include/dftbplus/modfiles/dftbp_io_commonformats.mod
include/dftbplus/modfiles/dftbp_io_formatout.mod
include/dftbplus/modfiles/dftbp_io_hsdparser.mod
include/dftbplus/modfiles/dftbp_io_hsdutils.mod
include/dftbplus/modfiles/dftbp_io_hsdutils2.mod
include/dftbplus/modfiles/dftbp_io_indexselection.mod
include/dftbplus/modfiles/dftbp_io_intrinsicpr.mod
%%SOCKETS%%include/dftbplus/modfiles/dftbp_io_ipisocket.mod
include/dftbplus/modfiles/dftbp_io_linereader.mod
include/dftbplus/modfiles/dftbp_io_logger.mod
include/dftbplus/modfiles/dftbp_io_message.mod
include/dftbplus/modfiles/dftbp_io_taggedoutput.mod
include/dftbplus/modfiles/dftbp_io_tokenreader.mod
include/dftbplus/modfiles/dftbp_io_xmlutils.mod
include/dftbplus/modfiles/dftbp_math_angmomentum.mod
include/dftbplus/modfiles/dftbp_math_bisect.mod
include/dftbplus/modfiles/dftbp_math_blasroutines.mod
include/dftbplus/modfiles/dftbp_math_degeneracy.mod
include/dftbplus/modfiles/dftbp_math_determinant.mod
include/dftbplus/modfiles/dftbp_math_duplicate.mod
include/dftbplus/modfiles/dftbp_math_eigensolver.mod
include/dftbplus/modfiles/dftbp_math_erfcalc.mod
include/dftbplus/modfiles/dftbp_math_errorfunction.mod
include/dftbplus/modfiles/dftbp_math_f08math.mod
include/dftbplus/modfiles/dftbp_math_factorial.mod
include/dftbplus/modfiles/dftbp_math_hermite.mod
include/dftbplus/modfiles/dftbp_math_interpolation.mod
include/dftbplus/modfiles/dftbp_math_lapackroutines.mod
include/dftbplus/modfiles/dftbp_math_qm.mod
include/dftbplus/modfiles/dftbp_math_quaternions.mod
include/dftbplus/modfiles/dftbp_math_randomgenpool.mod
include/dftbplus/modfiles/dftbp_math_ranlux.mod
include/dftbplus/modfiles/dftbp_math_scalafxext.mod
include/dftbplus/modfiles/dftbp_math_simplealgebra.mod
include/dftbplus/modfiles/dftbp_math_sorting.mod
include/dftbplus/modfiles/dftbp_math_sparseblas.mod
include/dftbplus/modfiles/dftbp_md_andersentherm.mod
include/dftbplus/modfiles/dftbp_md_berendsentherm.mod
include/dftbplus/modfiles/dftbp_md_dummytherm.mod
include/dftbplus/modfiles/dftbp_md_extlagrangian.mod
include/dftbplus/modfiles/dftbp_md_mdcommon.mod
include/dftbplus/modfiles/dftbp_md_mdintegrator.mod
include/dftbplus/modfiles/dftbp_md_nhctherm.mod
include/dftbplus/modfiles/dftbp_md_tempprofile.mod
include/dftbplus/modfiles/dftbp_md_thermostat.mod
include/dftbplus/modfiles/dftbp_md_velocityverlet.mod
include/dftbplus/modfiles/dftbp_md_xlbomd.mod
include/dftbplus/modfiles/dftbp_mixer_andersonmixer.mod
include/dftbplus/modfiles/dftbp_mixer_broydenmixer.mod
include/dftbplus/modfiles/dftbp_mixer_diismixer.mod
include/dftbplus/modfiles/dftbp_mixer_mixer.mod
include/dftbplus/modfiles/dftbp_mixer_simplemixer.mod
include/dftbplus/modfiles/dftbp_mmapi.mod
%%POISSON%%include/dftbplus/modfiles/dftbp_poisson_bulkpot.mod
%%POISSON%%include/dftbplus/modfiles/dftbp_poisson_fancybc.mod
%%POISSON%%include/dftbplus/modfiles/dftbp_poisson_gallocation.mod
%%POISSON%%include/dftbplus/modfiles/dftbp_poisson_gewald.mod
%%POISSON%%include/dftbplus/modfiles/dftbp_poisson_mpi_poisson.mod
%%POISSON%%include/dftbplus/modfiles/dftbp_poisson_parameters.mod
%%POISSON%%include/dftbplus/modfiles/dftbp_poisson_parcheck.mod
%%POISSON%%include/dftbplus/modfiles/dftbp_poisson_poisson.mod
%%POISSON%%include/dftbplus/modfiles/dftbp_poisson_structure.mod
include/dftbplus/modfiles/dftbp_reks_reks.mod
include/dftbplus/modfiles/dftbp_reks_rekscommon.mod
include/dftbplus/modfiles/dftbp_reks_rekscpeqn.mod
include/dftbplus/modfiles/dftbp_reks_reksen.mod
include/dftbplus/modfiles/dftbp_reks_reksfon.mod
include/dftbplus/modfiles/dftbp_reks_reksgrad.mod
include/dftbplus/modfiles/dftbp_reks_reksinterface.mod
include/dftbplus/modfiles/dftbp_reks_reksio.mod
include/dftbplus/modfiles/dftbp_reks_reksproperty.mod
include/dftbplus/modfiles/dftbp_reks_reksvar.mod
include/dftbplus/modfiles/dftbp_solvation_born.mod
include/dftbplus/modfiles/dftbp_solvation_cm5.mod
include/dftbplus/modfiles/dftbp_solvation_cosmo.mod
include/dftbplus/modfiles/dftbp_solvation_fieldscaling.mod
include/dftbplus/modfiles/dftbp_solvation_gbsafile.mod
include/dftbplus/modfiles/dftbp_solvation_sasa.mod
include/dftbplus/modfiles/dftbp_solvation_solvation.mod
include/dftbplus/modfiles/dftbp_solvation_solvdata.mod
include/dftbplus/modfiles/dftbp_solvation_solventdata.mod
include/dftbplus/modfiles/dftbp_solvation_solvinput.mod
include/dftbplus/modfiles/dftbp_solvation_solvparser.mod
include/dftbplus/modfiles/dftbp_timedep_dynamicsrestart.mod
include/dftbplus/modfiles/dftbp_timedep_linresp.mod
include/dftbplus/modfiles/dftbp_timedep_linrespcommon.mod
include/dftbplus/modfiles/dftbp_timedep_linrespgrad.mod
include/dftbplus/modfiles/dftbp_timedep_linresptypes.mod
include/dftbplus/modfiles/dftbp_timedep_pprpa.mod
include/dftbplus/modfiles/dftbp_timedep_timeprop.mod
include/dftbplus/modfiles/dftbp_timedep_transcharges.mod
%%TRANSPORT%%include/dftbplus/modfiles/dftbp_transport_matconv.mod
%%TRANSPORT%%include/dftbplus/modfiles/dftbp_transport_negfint.mod
%%TRANSPORT%%include/dftbplus/modfiles/dftbp_transport_negfvars.mod
include/dftbplus/modfiles/dftbp_type_commontypes.mod
include/dftbplus/modfiles/dftbp_type_densedescr.mod
include/dftbplus/modfiles/dftbp_type_dynneighlist.mod
include/dftbplus/modfiles/dftbp_type_integral.mod
include/dftbplus/modfiles/dftbp_type_latpointiter.mod
include/dftbplus/modfiles/dftbp_type_linkedlist.mod
include/dftbplus/modfiles/dftbp_type_linkedlistc0.mod
include/dftbplus/modfiles/dftbp_type_linkedlistc1.mod
include/dftbplus/modfiles/dftbp_type_linkedlisti0.mod
include/dftbplus/modfiles/dftbp_type_linkedlisti1.mod
include/dftbplus/modfiles/dftbp_type_linkedlistlc0.mod
include/dftbplus/modfiles/dftbp_type_linkedlistmc0.mod
include/dftbplus/modfiles/dftbp_type_linkedlistr0.mod
include/dftbplus/modfiles/dftbp_type_linkedlistr1.mod
include/dftbplus/modfiles/dftbp_type_linkedlistr2.mod
include/dftbplus/modfiles/dftbp_type_linkedlists0.mod
include/dftbplus/modfiles/dftbp_type_multipole.mod
include/dftbplus/modfiles/dftbp_type_oldskdata.mod
include/dftbplus/modfiles/dftbp_type_orbitals.mod
include/dftbplus/modfiles/dftbp_type_parallelks.mod
include/dftbplus/modfiles/dftbp_type_typegeometry.mod
include/dftbplus/modfiles/dftbp_type_typegeometryhsd.mod
include/dftbplus/modfiles/dftbp_type_wrappedintr.mod
include/dftbplus/modfiles/dftbplus.mod
%%SOCKETS%%include/dftbplus/modfiles/fsockets.mod
include/dftbplus/modfiles/xmlf90_buffer.mod
include/dftbplus/modfiles/xmlf90_charset.mod
include/dftbplus/modfiles/xmlf90_converters.mod
include/dftbplus/modfiles/xmlf90_debug.mod
include/dftbplus/modfiles/xmlf90_dictionary.mod
include/dftbplus/modfiles/xmlf90_dom_attribute.mod
include/dftbplus/modfiles/xmlf90_dom_debug.mod
include/dftbplus/modfiles/xmlf90_dom_document.mod
include/dftbplus/modfiles/xmlf90_dom_element.mod
include/dftbplus/modfiles/xmlf90_dom_error.mod
include/dftbplus/modfiles/xmlf90_dom_namednodemap.mod
include/dftbplus/modfiles/xmlf90_dom_node.mod
include/dftbplus/modfiles/xmlf90_dom_nodelist.mod
include/dftbplus/modfiles/xmlf90_dom_parse.mod
include/dftbplus/modfiles/xmlf90_dom_types.mod
include/dftbplus/modfiles/xmlf90_dom_utils.mod
include/dftbplus/modfiles/xmlf90_elstack.mod
include/dftbplus/modfiles/xmlf90_entities.mod
include/dftbplus/modfiles/xmlf90_flib_dom.mod
include/dftbplus/modfiles/xmlf90_flib_sax.mod
include/dftbplus/modfiles/xmlf90_flib_wxml.mod
include/dftbplus/modfiles/xmlf90_fsm.mod
include/dftbplus/modfiles/xmlf90_io.mod
include/dftbplus/modfiles/xmlf90_reader.mod
include/dftbplus/modfiles/xmlf90_strings.mod
include/dftbplus/modfiles/xmlf90_wxml_buffer.mod
include/dftbplus/modfiles/xmlf90_wxml_core.mod
include/dftbplus/modfiles/xmlf90_wxml_dictionary.mod
include/dftbplus/modfiles/xmlf90_wxml_elstack.mod
include/dftbplus/modfiles/xmlf90_wxml_text.mod
include/dftbplus/modfiles/xmlf90_xml_error.mod
include/dftbplus/modfiles/xmlf90_xml_parser.mod
lib/cmake/dftbplus/Modules/CustomLibraryFinder.cmake
lib/cmake/dftbplus/Modules/FindCustomArpack.cmake
lib/cmake/dftbplus/Modules/FindCustomBlas.cmake
lib/cmake/dftbplus/Modules/FindCustomLapack.cmake
lib/cmake/dftbplus/Modules/FindCustomMagma.cmake
lib/cmake/dftbplus/Modules/FindCustomPlumed.cmake
lib/cmake/dftbplus/Modules/FindCustomScalapack.cmake
lib/cmake/dftbplus/Modules/Findelsi.cmake
lib/cmake/dftbplus/dftbplus-config-version.cmake
lib/cmake/dftbplus/dftbplus-config.cmake
lib/cmake/dftbplus/dftbplus-targets-%%CMAKE_BUILD_TYPE%%.cmake
lib/cmake/dftbplus/dftbplus-targets.cmake
lib/libdftbplus.so
%%POISSON%%lib/libmudpack.so
libdata/pkgconfig/dftbplus.pc