MANIFEST.in
README.md
pyproject.toml
src/scope/__init__.py
src/scope/classes_atom.py
src/scope/classes_cell.py
src/scope/classes_cif.py
src/scope/classes_data.py
src/scope/classes_environment.py
src/scope/classes_input.py
src/scope/classes_qc.py
src/scope/classes_queue.py
src/scope/classes_specie.py
src/scope/classes_state.py
src/scope/classes_system.py
src/scope/classes_workflow.py
src/scope/connectivity.py
src/scope/constants.py
src/scope/cshm.py
src/scope/cshm.yaml
src/scope/elementdata.py
src/scope/findiff.py
src/scope/geometry.py
src/scope/other.py
src/scope/parse_general.py
src/scope/read_write.py
src/scope/reconstruct.py
src/scope/register_data.py
src/scope/thermodynamics.py
src/scope/vnm_tools.py
src/scope/cli/__init__.py
src/scope/cli/config.py
src/scope/cli/create_many.py
src/scope/cli/create_single.py
src/scope/cli/main.py
src/scope/cli/run.py
src/scope/cli/set_path.py
src/scope/operations/dicts_and_lists.py
src/scope/operations/graphs.py
src/scope/operations/vecs_and_mats.py
src/scope/software/gaussian/__init__.py
src/scope/software/gaussian/g16_input.py
src/scope/software/gaussian/g16_output.py
src/scope/software/gaussian/g16_parse.py
src/scope/software/quantum_espresso/__init__.py
src/scope/software/quantum_espresso/qe_input.py
src/scope/software/quantum_espresso/qe_output.py
src/scope/software/quantum_espresso/qe_parse.py
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/Fe.pbe-sp-van_ak.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/ag_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/al_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/as_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/au_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/b_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/ba_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/be_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/bi_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/br_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/c_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/ca_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/cd_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/cl_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/co_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/config.json
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/cr_pbe_v1.5.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/cs_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/cu_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/f_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/fe_pbe_v1.5.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/ga_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/ge_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/h_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/hf_pbe_plus4_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/hf_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/hg_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/i_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/in_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/ir_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/k_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/la_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/li_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/mg_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/mn_pbe_v1.5.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/mo_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/n_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/na_pbe_v1.5.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/nb_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/ni_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/o_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/os_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/p_pbe_v1.5.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/pb_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/pd_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/pt_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/rb_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/re_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/rh_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/ru_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/s_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/sb_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/sc_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/se_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/si_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/sn_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/sr_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/ta_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/tc_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/te_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/ti_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/tl_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/v_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/w_pbe_v1.2.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/y_pbe_v1.4.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/zn_pbe_v1.uspp.F.UPF
src/scope/software/quantum_espresso/PP_Libraries/Vanderbilt_USPP/zr_pbe_v1.uspp.F.UPF
src/scope/utils/__init__.py
src/scope/utils/core_tools.py
src/scope/utils/run_task.py
src/scope_qc.egg-info/PKG-INFO
src/scope_qc.egg-info/SOURCES.txt
src/scope_qc.egg-info/dependency_links.txt
src/scope_qc.egg-info/entry_points.txt
src/scope_qc.egg-info/requires.txt
src/scope_qc.egg-info/top_level.txt