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Contents
libAtoms
Copyright
Introduction
Program md in file md.f95
Program xyz2pdb in file xyz2pdb.f95
Module atoms_module in file Atoms.f95
Module CInOutput_module in file CInOutput.f95
Module constraints_module in file Constraints.f95
Module dictionary_module in file Dictionary.f95
Module dynamicalsystem_module in file DynamicalSystem.f95
Module extendable_str_module in file ExtendableStr.f95
Module group_module in file Group.f95
Module paramreader_module in file ParamReader.f95
Module periodictable_module in file PeriodicTable.f95
Module quaternions_module in file Quaternions.f95
Module rigidbody_module in file RigidBody.f95
Module sparse_module in file Sparse.f95
Module spline_module in file Spline.f95
Module structures_module in file Structures.f95
Module system_module in file System.f95
Module table_module in file Table.f95
Module thermostat_module in file Thermostat.f95
Module topology_module in file Topology.f95
Module units_module in file Units.f95
Module clusters_module in file clusters.f95
Module frametools_module in file frametools.f95
Module libAtoms_module in file libAtoms.f95
Module libatoms_misc_utils_module in file libAtoms_misc_utils.f95
Module linearalgebra_module in file linearalgebra.f95
Module minimization_module in file minimization.f95
Module mpi_module in file mpi.f95
Module nye_tensor_module in file nye_tensor.f95
Module test_force_model_module in file test_force_model.f95
Miscellaneous Subroutines and Functions
QUIP_Core
Copyright
Introduction
Program cp2k_filepot in file cp2k_filepot.f95
Program test_DFTB in file test_DFTB.f95
Program test_GreensFunc in file test_GreensFunc.f95
Program test_KP in file test_KP.f95
Program test_Matrix in file test_Matrix.f95
Program test_potential in file test_Potential.f95
Program test_QC_QUIP_Wrapper in file test_QC_QUIP_Wrapper.f95
Program test_RS_SparseMAtrix in file test_RS_SparseMatrix.f95
Program test_Matrix in file test_ScaLAPACK.f95
Program test_SE in file test_SelfEnergy_passivation.f95
Program test_Self_Consistency in file test_Self_Consistency.f95
Program test_TBModel in file test_TBCalculate.f95
Program test_TBMatrix in file test_TBMatrix.f95
Program test_TBModel in file test_TBModel.f95
Program test_TBModel in file test_TBSystem.f95
Module AdjustablePotential_module in file AdjustablePotential.f95
Module ApproxFermi_module in file ApproxFermi.f95
Module Ewald_module in file Ewald.f95
Module FilePot_module in file FilePot.f95
Module functions_module in file Functions.f95
Module IP_module in file IP.f95
Module IPEwald_module in file IPEwald.f95
Module IPModel_ASAP_module in file IPModel_ASAP.f95
Module IPModel_BOP_module in file IPModel_BOP.f95
Module IPModel_Brenner_module in file IPModel_Brenner.f95
Module IPModel_Brenner_2002_module in file IPModel_Brenner_2002.f95
Module IPModel_Brenner_Screened_module in file IPModel_Brenner_Screened.f95
Module IPModel_EAM_ErcolAd_module in file IPModel_EAM_Ercolessi_Adams.f95
Module IPModel_FB_module in file IPModel_FB.f95
Module IPModel_FS_module in file IPModel_FS.f95
Module IPModel_GAP_module in file IPModel_GAP.f95
Module IPModel_LJ_module in file IPModel_LJ.f95
Module IPModel_SW_module in file IPModel_SW.f95
Module IPModel_Si_MEAM_module in file IPModel_Si_MEAM.f95
Module IPModel_Template_module in file IPModel_Template.f95
Module IPModel_Tersoff_module in file IPModel_Tersoff.f95
Module MPI_context_module in file MPI_context.f95
Module matrix_module in file Matrix.f95
Module MetaPotential_module in file MetaPotential.f95
Module Potential_module in file Potential.f95
Module QC_QUIP_Wrapper_module in file QC_QUIP_Wrapper.f95
Module QUIP_Common_module in file QUIP_Common.f95
Module QUIP_internals_module in file QUIP_module.f95
Module QUIP_module in file QUIP_module.f95
Module RS_SparseMatrix_module in file RS_SparseMatrix.f95
Module ScaLAPACK_module in file ScaLAPACK.f95
Module TB_module in file TB.f95
Module TBMatrix_module in file TBMatrix.f95
Module TBModel_module in file TBModel.f95
Module TBModel_Bowler_module in file TBModel_Bowler.f95
Module TBModel_DFTB_module in file TBModel_DFTB.f95
Module TBModel_GSP_module in file TBModel_GSP.f95
Module TBModel_NRL_TB_module in file TBModel_NRL_TB.f95
Module TBModel_NRL_TB_defs_module in file TBModel_NRL_TB_defs.f95
Module TBSystem_module in file TBSystem.f95
Module TB_Common_module in file TB_Common.f95
Module TB_GreensFunctions_module in file TB_GreensFunctions.f95
Module TB_KPoints_module in file TB_Kpoints.f95
Module tb_mixing_module in file TB_Mixing.f95
Module cp2k_driver_module in file cp2k_driver.f95
Module test_SE_mod in file test_SelfEnergy_passivation.f95
Miscellaneous Subroutines and Functions
QUIP_Utils
Module elasticity_module in file elasticity.f95
Module phonons_module in file phonons.f95
Module potential_test_module in file potential_test.f95
Module ts_module in file transition_state.f95
Module tsParams_module in file ts_params.f95
Index
gabor 2009-06-30
