LICENSE
MANIFEST.in
README.md
setup.py
biobb_cp2k/__init__.py
biobb_cp2k.egg-info/PKG-INFO
biobb_cp2k.egg-info/SOURCES.txt
biobb_cp2k.egg-info/dependency_links.txt
biobb_cp2k.egg-info/entry_points.txt
biobb_cp2k.egg-info/requires.txt
biobb_cp2k.egg-info/top_level.txt
biobb_cp2k/cp2k/__init__.py
biobb_cp2k/cp2k/common.py
biobb_cp2k/cp2k/cp2k_prep.py
biobb_cp2k/cp2k/cp2k_run.py
biobb_cp2k/cp2k/cp2k_data/.DS_Store
biobb_cp2k/cp2k/cp2k_data/ALL_BASIS_SETS
biobb_cp2k/cp2k/cp2k_data/ALL_POTENTIALS
biobb_cp2k/cp2k/cp2k_data/AcPP1_POTENTIALS
biobb_cp2k/cp2k/cp2k_data/BASIS_ADMM
biobb_cp2k/cp2k/cp2k_data/BASIS_ADMM_MOLOPT
biobb_cp2k/cp2k/cp2k_data/BASIS_ADMM_UZH
biobb_cp2k/cp2k/cp2k_data/BASIS_LRIGPW_AUXMOLOPT
biobb_cp2k/cp2k/cp2k_data/BASIS_MINIX
biobb_cp2k/cp2k/cp2k_data/BASIS_MOLOPT
biobb_cp2k/cp2k/cp2k_data/BASIS_MOLOPT_AcPP1
biobb_cp2k/cp2k/cp2k_data/BASIS_MOLOPT_LnPP1
biobb_cp2k/cp2k/cp2k_data/BASIS_MOLOPT_UCL
biobb_cp2k/cp2k/cp2k_data/BASIS_MOLOPT_UZH
biobb_cp2k/cp2k/cp2k_data/BASIS_RI_cc-TZ
biobb_cp2k/cp2k/cp2k_data/BASIS_SET
biobb_cp2k/cp2k/cp2k_data/BASIS_ZIJLSTRA
biobb_cp2k/cp2k/cp2k_data/BASIS_ccGRB_UZH
biobb_cp2k/cp2k/cp2k_data/BASIS_def2_QZVP_RI_ALL
biobb_cp2k/cp2k/cp2k_data/BASIS_pob
biobb_cp2k/cp2k/cp2k_data/ECP_POTENTIALS
biobb_cp2k/cp2k/cp2k_data/EMSL_BASIS_SETS
biobb_cp2k/cp2k/cp2k_data/GTH_BASIS_SETS
biobb_cp2k/cp2k/cp2k_data/GTH_POTENTIALS
biobb_cp2k/cp2k/cp2k_data/HFX_BASIS
biobb_cp2k/cp2k/cp2k_data/HF_POTENTIALS
biobb_cp2k/cp2k/cp2k_data/LnPP1_POTENTIALS
biobb_cp2k/cp2k/cp2k_data/MM_POTENTIAL
biobb_cp2k/cp2k/cp2k_data/NLCC_POTENTIALS
biobb_cp2k/cp2k/cp2k_data/POTENTIAL
biobb_cp2k/cp2k/cp2k_data/POTENTIAL_UZH
biobb_cp2k/cp2k/cp2k_data/README.md
biobb_cp2k/cp2k/cp2k_data/dftd3.dat
biobb_cp2k/cp2k/cp2k_data/nm12_parameters.xml
biobb_cp2k/cp2k/cp2k_data/rVV10_kernel_table.dat
biobb_cp2k/cp2k/cp2k_data/t_c_g.dat
biobb_cp2k/cp2k/cp2k_data/t_sh_p_s_c.dat
biobb_cp2k/cp2k/cp2k_data/vdW_kernel_table.dat
biobb_cp2k/cp2k/cp2k_data/xTB_parameters
biobb_cp2k/cp2k/cp2k_in/cp2k_energy.inp
biobb_cp2k/cp2k/cp2k_in/cp2k_geom_opt.inp
biobb_cp2k/cp2k/cp2k_in/cp2k_md.inp
biobb_cp2k/cp2k/cp2k_in/cp2k_mp2.inp