[ol7_developer_EPEL] votca-xtp-devel-1.5-1.el7.aarch64

Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is
a package intended to reduce the amount of routine work when doing systematic
coarse-graining of various systems. The core is written in C++.

This package contains development headers and libraries for the excitation and
charge properties module.

Filelist (Show Changelog) (Show related packages)

• /

  • usr

    • include

      • votca

        • xtp

          • ERIs.h

          • Md2QmEngine.h

          • adiis.h

          • adiis_costfunction.h

          • aobasis.h

          • aomatrix.h

          • aoshell.h

          • atom.h

          • atomcontainer.h

          • basisset.h

          • bfgs-trm.h

          • bse.h

          • bsecoupling.h

          • calculatorfactory.h

          • chargecarrier.h

          • checkpoint.h

          • checkpoint_utils.h

          • checkpointreader.h

          • checkpointwriter.h

          • convergenceacc.h

          • couplingbase.h

          • dftcoupling.h

          • dftengine.h

          • diis.h

          • eigen.h

          • energy_costfunction.h

          • esp2multipole.h

          • espfit.h

          • extractorfactory.h

          • forces.h

          • fourcenter.h

          • fragment.h

          • gdma.h

          • geometry_optimization.h

          • glink.h

          • gnode.h

          • grid.h

          • grid_containers.h

          • gridbox.h

          • gwbse.h

          • gwbseengine.h

          • gyration.h

          • huffmantree.h

          • job.h

          • jobapplication.h

          • jobcalculator.h

          • jobcalculatorfactory.h

          • jobtopology.h

          • kmccalculator.h

          • logger.h

          • mmregion.h

          • molecule.h

          • multiarray.h

          • nbo.h

          • numerical_integrations.h

          • optimiser_costfunction.h

          • orbitals.h

          • paircalculator.h

          • parallelxjobcalc.h

          • polarsegment.h

          • polarsite.h

          • populationanalysis.h

          • ppm.h

          • progressobserver.h

          • qmatom.h

          • qmcalculator.h

          • qmdatabase.h

          • qmfragment.h

          • qminterface.h

          • qmmolecule.h

          • qmnblist.h

          • qmpackage.h

          • qmpackagefactory.h

          • qmpair.h

          • qmstate.h

          • qmthread.h

          • qmtool.h

          • radial_euler_maclaurin_rule.h

          • region.h

          • rpa.h

          • segment.h

          • segmenttype.h

          • sigma.h

          • sphere_lebedev_rule.h

          • sqlapplication.h

          • statefilter.h

          • statesaversqlite.h

          • symmetric_matrix.h

          • threecenter.h

          • toolfactory.h

          • topology.h

          • trustregion.h

          • vc2index.h

          • version.h

          • votca_config.h

          • vxc_functionals.h

          • xtpapplication.h

    • lib64

      • libvotca_xtp.so

      • pkgconfig

        • libvotca_xtp.pc