29Oct20 version files changed by 30Nov20 patch: README cmake/Modules/Packages/KIM.cmake cmake/Modules/Packages/KOKKOS.cmake cmake/Modules/YAML.cmake doc/Manual.pdf doc/github-development-workflow.md doc/lammps.1 doc/src/Build_development.rst doc/src/Commands_bond.rst doc/src/Commands_fix.rst doc/src/Commands_pair.rst doc/src/Developer.rst doc/src/Developer_unittest.rst doc/src/Errors_warnings.rst doc/src/Howto_drude2.rst doc/src/Howto_github.rst doc/src/Howto_walls.rst doc/src/Intro_citing.rst doc/src/Packages_details.rst doc/src/Run_options.rst doc/src/angle_gaussian.rst doc/src/angle_style.rst doc/src/atc_output.rst doc/src/balance.rst doc/src/bond_gaussian.rst doc/src/bond_style.rst doc/src/change_box.rst doc/src/compute_reduce_chunk.rst doc/src/compute_stress_atom.rst doc/src/fix.rst doc/src/fix_bond_react.rst doc/src/fix_electron_stopping.rst doc/src/fix_filter_corotate.rst doc/src/fix_phonon.rst doc/src/fix_precession_spin.rst doc/src/fix_rx.rst doc/src/fix_shake.rst doc/src/message.rst doc/src/molecule.rst doc/src/package.rst doc/src/pair_atm.rst doc/src/pair_buck_long.rst doc/src/pair_gayberne.rst doc/src/pair_lcbop.rst doc/src/pair_polymorphic.rst doc/src/pair_resquared.rst doc/src/pair_spin_exchange.rst doc/src/pair_srp.rst doc/src/pair_style.rst doc/src/read_data.rst doc/src/read_dump.rst doc/src/rerun.rst doc/src/set.rst doc/src/units.rst doc/utils/sphinx-config/false_positives.txt examples/COUPLE/fortran2/Makefile examples/SPIN/cobalt_hcp/in.spin.cobalt_hcp examples/SPIN/iron/in.spin.iron examples/SPIN/iron/in.spin.iron_cubic examples/SPIN/test_problems/validation_damped_exchange/llg_exchange.py examples/SPIN/test_problems/validation_damped_exchange/run-test-exchange.sh examples/SPIN/test_problems/validation_damped_exchange/test-spin-precession.in examples/SPIN/test_problems/validation_damped_exchange/two_spins.data examples/SPIN/test_problems/validation_nve/run-test-nve.sh examples/SPIN/test_problems/validation_nvt/in.spin.nvt_lattice examples/SPIN/test_problems/validation_nvt/in.spin.nvt_spin examples/SPIN/test_problems/validation_nvt/plot_nvt.py examples/USER/misc/electron_stopping/in.cascade_AlCu examples/USER/misc/electron_stopping/in.cascade_SiSi examples/USER/misc/electron_stopping/log.18Sep2020.cascade_AlCu.intel.1 examples/USER/misc/electron_stopping/log.18Sep2020.cascade_AlCu.intel.4 examples/USER/misc/electron_stopping/log.18Sep2020.cascade_SiSi.intel.1 examples/USER/misc/electron_stopping/log.18Sep2020.cascade_SiSi.intel.4 examples/USER/reaction/nylon,6-6_melt/rxn1_stp1_map examples/USER/reaction/nylon,6-6_melt/rxn1_stp2_map examples/USER/reaction/tiny_epoxy/rxn1_stp1.map examples/USER/reaction/tiny_epoxy/rxn1_stp2.map examples/USER/reaction/tiny_epoxy/rxn2_stp1.map examples/USER/reaction/tiny_epoxy/rxn2_stp2.map examples/USER/reaction/tiny_nylon/rxn1_stp1_map examples/USER/reaction/tiny_nylon/rxn1_stp2_map examples/USER/reaction/tiny_polystyrene/2styrene_map examples/USER/reaction/tiny_polystyrene/chain_chain_map examples/USER/reaction/tiny_polystyrene/chain_plus_styrene_map examples/granular/in.pour.drum examples/granular/in.pour.flatwall examples/granular/log.29Mar19.pour.drum.g++.1 examples/granular/log.29Mar19.pour.drum.g++.4 examples/granular/log.29Mar19.pour.flatwall.g++.1 examples/granular/log.29Mar19.pour.flatwall.g++.4 examples/granular/log.29Oct20.pour.drum.g++.1 examples/granular/log.29Oct20.pour.drum.g++.4 examples/granular/log.29Oct20.pour.flatwall.g++.1 examples/granular/log.29Oct20.pour.flatwall.g++.4 lib/kim/Install.py lib/kokkos/BUILD.md lib/kokkos/CHANGELOG.md lib/kokkos/CMakeLists.txt lib/kokkos/Makefile.kokkos lib/kokkos/README.md lib/kokkos/cmake/fake_tribits.cmake lib/kokkos/cmake/kokkos_arch.cmake lib/kokkos/cmake/kokkos_enable_options.cmake lib/kokkos/cmake/kokkos_functions.cmake lib/kokkos/cmake/kokkos_tpls.cmake lib/kokkos/cmake/kokkos_tribits.cmake lib/kokkos/containers/src/Kokkos_DynamicView.hpp lib/kokkos/core/src/Cuda/Kokkos_CudaSpace.cpp lib/kokkos/core/src/Cuda/Kokkos_Cuda_Instance.cpp lib/kokkos/core/src/Cuda/Kokkos_Cuda_Instance.hpp lib/kokkos/core/src/Cuda/Kokkos_Cuda_KernelLaunch.hpp lib/kokkos/core/src/Cuda/Kokkos_Cuda_Parallel.hpp lib/kokkos/core/src/HIP/Kokkos_HIP_Parallel_Range.hpp lib/kokkos/core/src/HIP/Kokkos_HIP_Parallel_Team.hpp lib/kokkos/core/src/Kokkos_HPX.hpp lib/kokkos/core/src/OpenMP/Kokkos_OpenMP_Parallel.hpp lib/kokkos/core/src/Threads/Kokkos_Threads_Parallel.hpp lib/kokkos/core/src/impl/Kokkos_ViewMapping.hpp lib/kokkos/core/unit_test/CMakeLists.txt lib/quip/README lib/scafacos/README potentials/TABTP_10_10.mesont python/lammps.py src/CLASS2/pair_lj_class2.cpp src/CLASS2/pair_lj_class2_coul_cut.cpp src/Depend.sh src/GPU/pppm_gpu.cpp src/GRANULAR/pair_gran_hooke_history.cpp src/GRANULAR/pair_granular.cpp src/KIM/kim_init.cpp src/KIM/kim_interactions.cpp src/KIM/kim_param.cpp src/KIM/kim_param.h src/KIM/kim_property.cpp src/KIM/kim_query.cpp src/KIM/kim_query.h src/KIM/pair_kim.cpp src/KOKKOS/Install.sh src/KOKKOS/angle_charmm_kokkos.cpp src/KOKKOS/angle_class2_kokkos.cpp src/KOKKOS/angle_cosine_kokkos.cpp src/KOKKOS/angle_harmonic_kokkos.cpp src/KOKKOS/comm_kokkos.cpp src/KOKKOS/comm_kokkos.h src/KOKKOS/dihedral_charmm_kokkos.cpp src/KOKKOS/dihedral_class2_kokkos.cpp src/KOKKOS/dihedral_harmonic_kokkos.cpp src/KOKKOS/dihedral_opls_kokkos.cpp src/KOKKOS/fft3d_kokkos.cpp src/KOKKOS/fix_qeq_reax_kokkos.cpp src/KOKKOS/fix_qeq_reax_kokkos.h src/KOKKOS/fix_shake_kokkos.cpp src/KOKKOS/fix_shake_kokkos.h src/KOKKOS/improper_class2_kokkos.cpp src/KOKKOS/improper_harmonic_kokkos.cpp src/KOKKOS/kokkos.cpp src/KOKKOS/kokkos_base.h src/KOKKOS/kokkos_type.h src/KOKKOS/pair_eam_alloy_kokkos.cpp src/KOKKOS/pair_eam_alloy_kokkos.h src/KOKKOS/pair_eam_fs_kokkos.cpp src/KOKKOS/pair_eam_fs_kokkos.h src/KOKKOS/pair_eam_kokkos.cpp src/KOKKOS/pair_eam_kokkos.h src/KOKKOS/pair_hybrid_kokkos.cpp src/KOKKOS/pair_reaxc_kokkos.cpp src/KSPACE/msm_cg.cpp src/KSPACE/pppm_disp.h src/MANYBODY/pair_adp.cpp src/MANYBODY/pair_airebo.cpp src/MANYBODY/pair_atm.cpp src/MANYBODY/pair_bop.cpp src/MANYBODY/pair_comb.cpp src/MANYBODY/pair_comb3.cpp src/MANYBODY/pair_eim.cpp src/MANYBODY/pair_gw.cpp src/MANYBODY/pair_lcbop.cpp src/MANYBODY/pair_nb3b_harmonic.cpp src/MANYBODY/pair_polymorphic.cpp src/MANYBODY/pair_sw.cpp src/MANYBODY/pair_tersoff.cpp src/MANYBODY/pair_vashishta.cpp src/MLIAP/pair_mliap.cpp src/MOLECULE/atom_vec_template.cpp src/MOLECULE/bond_quartic.cpp src/MOLECULE/dihedral_charmm.cpp src/MOLECULE/dihedral_charmmfsw.cpp src/MOLECULE/fix_cmap.cpp src/POEMS/fix_poems.cpp src/PYTHON/pair_python.cpp src/REPLICA/neb.cpp src/RIGID/fix_rigid.cpp src/RIGID/fix_rigid_small.cpp src/RIGID/fix_shake.cpp src/RIGID/fix_shake.h src/SNAP/pair_snap.cpp src/SPIN/compute_spin.cpp src/SPIN/pair_spin_dipole_cut.cpp src/SPIN/pair_spin_dipole_long.cpp src/SPIN/pair_spin_dmi.cpp src/SPIN/pair_spin_exchange.cpp src/SPIN/pair_spin_exchange.h src/SPIN/pair_spin_exchange_biquadratic.cpp src/SPIN/pair_spin_exchange_biquadratic.h src/SPIN/pair_spin_magelec.cpp src/SPIN/pair_spin_neel.cpp src/USER-FEP/pair_coul_cut_soft.cpp src/USER-FEP/pair_lj_class2_coul_cut_soft.cpp src/USER-FEP/pair_lj_class2_soft.cpp src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp src/USER-FEP/pair_lj_cut_soft.cpp src/USER-INTEL/dihedral_charmm_intel.cpp src/USER-INTEL/intel_preprocess.h src/USER-INTEL/pair_buck_coul_cut_intel.cpp src/USER-INTEL/pair_buck_intel.cpp src/USER-INTEL/pair_dpd_intel.cpp src/USER-INTEL/pair_eam_intel.cpp src/USER-INTEL/pair_gayberne_intel.cpp src/USER-INTEL/pair_lj_charmm_coul_charmm_intel.cpp src/USER-INTEL/pair_lj_charmm_coul_long_intel.cpp src/USER-INTEL/pair_lj_cut_coul_long_intel.cpp src/USER-INTEL/pair_lj_cut_intel.cpp src/USER-INTEL/pppm_intel.cpp src/USER-MEAMC/pair_meamc.cpp src/USER-MESONT/pair_mesocnt.cpp src/USER-MESONT/pair_mesont_tpm.cpp src/USER-MESONT/pair_mesont_tpm.h src/USER-MISC/README src/USER-MISC/angle_gaussian.cpp src/USER-MISC/angle_gaussian.h src/USER-MISC/bond_gaussian.cpp src/USER-MISC/bond_gaussian.h src/USER-MISC/fix_electron_stopping_fit.cpp src/USER-MISC/fix_electron_stopping_fit.h src/USER-MISC/pair_agni.cpp src/USER-MISC/pair_drip.cpp src/USER-MISC/pair_edip.cpp src/USER-MISC/pair_edip_multi.cpp src/USER-MISC/pair_extep.cpp src/USER-MISC/pair_meam_sw_spline.cpp src/USER-MISC/pair_tersoff_table.cpp src/USER-MOFFF/angle_cosine_buck6d.cpp src/USER-NETCDF/dump_netcdf.cpp src/USER-OMP/bond_quartic_omp.cpp src/USER-OMP/dihedral_charmm_omp.cpp src/USER-OMP/msm_cg_omp.cpp src/USER-OMP/thr_omp.cpp src/USER-PLUMED/README src/USER-QUIP/pair_quip.cpp src/USER-REACTION/fix_bond_react.cpp src/USER-REACTION/fix_bond_react.h src/USER-REAXC/pair_reaxc.cpp src/angle.cpp src/angle.h src/atom.cpp src/atom_masks.h src/atom_vec_ellipsoid.cpp src/balance.cpp src/bond.cpp src/compute_centroid_stress_atom.cpp src/create_atoms.cpp src/dihedral.cpp src/dihedral.h src/domain.cpp src/fix.cpp src/fix.h src/fix_neigh_history.cpp src/fix_neigh_history.h src/fmt/chrono.h src/fmt/color.h src/fmt/compile.h src/fmt/core.h src/fmt/format-inl.h src/fmt/format.h src/fmt/locale.h src/fmt/os.h src/fmt/ostream.h src/fmt/printf.h src/fmt/ranges.h src/fmtlib_format.cpp src/fmtlib_os.cpp src/force.h src/improper.cpp src/improper.h src/input.cpp src/integrate.cpp src/kspace.cpp src/kspace.h src/lammps.cpp src/library.cpp src/library.h src/min.cpp src/modify.cpp src/modify.h src/molecule.cpp src/pair.cpp src/pair.h src/pair_beck.cpp src/pair_buck.cpp src/pair_buck_coul_cut.cpp src/pair_coul_cut.cpp src/pair_coul_dsf.cpp src/pair_coul_wolf.cpp src/pair_hybrid.cpp src/pair_lj_cubic.cpp src/pair_lj_cut.cpp src/pair_lj_cut_coul_cut.cpp src/pair_lj_cut_coul_dsf.cpp src/pair_lj_cut_coul_wolf.cpp src/pair_lj_expand.cpp src/pair_lj_gromacs_coul_gromacs.cpp src/pair_lj_smooth.cpp src/pair_lj_smooth_linear.cpp src/pair_morse.cpp src/pair_ufm.cpp src/replicate.cpp src/respa.cpp src/universe.cpp src/update.cpp src/utils.cpp src/verlet.cpp src/version.h tools/singularity/ubuntu18.04_gpu.def tools/singularity/ubuntu20.04_gpu.def unittest/CMakeLists.txt unittest/c-library/CMakeLists.txt unittest/c-library/test_library_mpi.cpp unittest/c-library/test_library_properties.cpp unittest/commands/test_kim_commands.cpp unittest/commands/test_reset_ids.cpp unittest/commands/test_simple_commands.cpp unittest/cplusplus/test_input_class.cpp unittest/cplusplus/test_lammps_class.cpp unittest/force-styles/CMakeLists.txt unittest/force-styles/test_error_stats.cpp unittest/force-styles/test_fix_timestep.cpp unittest/force-styles/test_main.cpp unittest/force-styles/tests/angle-gaussian.yaml unittest/force-styles/tests/atomic-pair-reax_c.yaml unittest/force-styles/tests/bond-gaussian.yaml unittest/formats/CMakeLists.txt unittest/formats/test_atom_styles.cpp unittest/formats/test_dump_atom.cpp unittest/formats/test_dump_atom_gz.cpp unittest/formats/test_dump_atom_zstd.cpp unittest/formats/test_dump_cfg.cpp unittest/formats/test_dump_cfg_gz.cpp unittest/formats/test_dump_cfg_zstd.cpp unittest/formats/test_dump_custom.cpp unittest/formats/test_dump_custom_gz.cpp unittest/formats/test_dump_custom_zstd.cpp unittest/formats/test_dump_local_gz.cpp unittest/formats/test_dump_local_zstd.cpp unittest/formats/test_dump_xyz_gz.cpp unittest/formats/test_dump_xyz_zstd.cpp unittest/formats/test_image_flags.cpp unittest/formats/test_pair_unit_convert.cpp unittest/formats/test_potential_file_reader.cpp unittest/fortran/wrap_commands.cpp unittest/fortran/wrap_create.cpp unittest/python/python-commands.py unittest/python/python-numpy.py unittest/python/test_python_package.cpp unittest/testing/core.h unittest/testing/mpitesting.h unittest/testing/systems/melt.h unittest/testing/test_mpi_main.h unittest/testing/utils.h unittest/utils/test_math_eigen_impl.cpp unittest/utils/test_mempool.cpp unittest/utils/test_tokenizer.cpp unittest/utils/test_utils.cpp