MANIFEST.in
README
README.md
setup.py
./src/cbmc.c
./src/cbmc.h
./src/charge_equilibration.c
./src/charge_equilibration.h
./src/complex.c
./src/complex.h
./src/constants.c
./src/constants.h
./src/cubic_spline_1d.c
./src/cubic_spline_1d.h
./src/equations_of_state.c
./src/equations_of_state.h
./src/ewald.c
./src/ewald.h
./src/framework.c
./src/framework.h
./src/framework_born.c
./src/framework_born.h
./src/framework_energy.c
./src/framework_energy.h
./src/framework_force.c
./src/framework_force.h
./src/framework_hessian.c
./src/framework_hessian.h
./src/grids.c
./src/grids.h
./src/input.c
./src/input.h
./src/integrate.c
./src/integrate.h
./src/integration.c
./src/integration.h
./src/inter_born.c
./src/inter_born.h
./src/inter_energy.c
./src/inter_energy.h
./src/inter_force.c
./src/inter_force.h
./src/inter_hessian.c
./src/inter_hessian.h
./src/internal_born.c
./src/internal_born.h
./src/internal_energy.c
./src/internal_energy.h
./src/internal_force.c
./src/internal_force.h
./src/internal_hessian.c
./src/internal_hessian.h
./src/linear_equations.c
./src/linear_equations.h
./src/main.c
./src/matrix.c
./src/matrix.h
./src/mc_moves.c
./src/mc_moves.h
./src/minimization.c
./src/minimization.h
./src/minimization_simulation.c
./src/minimization_simulation.h
./src/molecular_dynamics.c
./src/molecular_dynamics.h
./src/molecule.c
./src/molecule.h
./src/molecule_properties.c
./src/molecule_properties.h
./src/monte_carlo.c
./src/monte_carlo.h
./src/movies.c
./src/movies.h
./src/numerical.c
./src/numerical.h
./src/output.c
./src/output.h
./src/potentials.c
./src/potentials.h
./src/recrossing.c
./src/recrossing.h
./src/rigid.c
./src/rigid.h
./src/run.c
./src/run.h
./src/sample.c
./src/sample.h
./src/scattering_factors.c
./src/scattering_factors.h
./src/simulation.c
./src/simulation.h
./src/spacegroup.c
./src/spacegroup.h
./src/spectra.c
./src/spectra.h
./src/statistics.c
./src/statistics.h
./src/status.c
./src/status.h
./src/thermo_baro_stats.c
./src/thermo_baro_stats.h
./src/utils.c
./src/utils.h
./src/vector.c
./src/vector.h
./src/warnings.c
./src/warnings.h
RASPA2.egg-info/PKG-INFO
RASPA2.egg-info/SOURCES.txt
RASPA2.egg-info/dependency_links.txt
RASPA2.egg-info/entry_points.txt
RASPA2.egg-info/top_level.txt
forcefield/AmirjalayerSchmid/force_field.def
forcefield/AmirjalayerSchmid/force_field_mixing_rules.def
forcefield/AmirjalayerSchmid/pseudo_atoms.def
forcefield/CastilloVlugtCalero2009/force_field.def
forcefield/CastilloVlugtCalero2009/force_field_mixing_rules.def
forcefield/CastilloVlugtCalero2009/pseudo_atoms.def
forcefield/CoreShellCatlow/force_field.def
forcefield/CoreShellCatlow/force_field_mixing_rules.def
forcefield/CoreShellCatlow/pseudo_atoms.def
forcefield/CoreShellSastreGale2005/force_field.def
forcefield/CoreShellSastreGale2005/force_field_mixing_rules.def
forcefield/CoreShellSastreGale2005/pseudo_atoms.def
forcefield/CoreShellSchroderSauer/force_field.def
forcefield/CoreShellSchroderSauer/force_field_mixing_rules.def
forcefield/CoreShellSchroderSauer/pseudo_atoms.def
forcefield/CrystalGenerator/force_field.def
forcefield/CrystalGenerator/force_field_mixing_rules.def
forcefield/CrystalGenerator/pseudo_atoms.def
forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field.def
forcefield/Dubbeldam2007FlexibleIRMOF-1/force_field_mixing_rules.def
forcefield/Dubbeldam2007FlexibleIRMOF-1/pseudo_atoms.def
forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field.def
forcefield/Dubbeldam2007FlexibleIRMOF-10/force_field_mixing_rules.def
forcefield/Dubbeldam2007FlexibleIRMOF-10/pseudo_atoms.def
forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field.def
forcefield/Dubbeldam2007FlexibleIRMOF-16/force_field_mixing_rules.def
forcefield/Dubbeldam2007FlexibleIRMOF-16/pseudo_atoms.def
forcefield/Dubbeldam2012MIL-100/force_field.def
forcefield/Dubbeldam2012MIL-100/force_field_mixing_rules.def
forcefield/Dubbeldam2012MIL-100/pseudo_atoms.def
forcefield/Dubbeldam2012MIL-101/force_field.def
forcefield/Dubbeldam2012MIL-101/force_field_mixing_rules.def
forcefield/Dubbeldam2012MIL-101/pseudo_atoms.def
forcefield/Dzubak2012-IRMOF-1/force_field.def
forcefield/Dzubak2012-IRMOF-1/force_field_mixing_rules.def
forcefield/Dzubak2012-IRMOF-1/pseudo_atoms.def
forcefield/Dzubak2012-MgMOF-74/force_field.def
forcefield/Dzubak2012-MgMOF-74/force_field_mixing_rules.def
forcefield/Dzubak2012-MgMOF-74/pseudo_atoms.def
forcefield/Dzubak2012-MgMOF-74-extended/force_field.def
forcefield/Dzubak2012-MgMOF-74-extended/force_field_mixing_rules.def
forcefield/Dzubak2012-MgMOF-74-extended/pseudo_atoms.def
forcefield/Dzubak2012-ZnMOF-74/force_field.def
forcefield/Dzubak2012-ZnMOF-74/force_field_mixing_rules.def
forcefield/Dzubak2012-ZnMOF-74/pseudo_atoms.def
forcefield/GarciaPerez2006/force_field.def
forcefield/GarciaPerez2006/force_field_mixing_rules.def
forcefield/GarciaPerez2006/pseudo_atoms.def
forcefield/GenericMOFs/force_field_mixing_rules.def
forcefield/GenericMOFs/pseudo_atoms.def
forcefield/GenericZeolites/force_field_mixing_rules.def
forcefield/GenericZeolites/pseudo_atoms.def
forcefield/MgMOF-74-Yazaydin/force_field.def
forcefield/MgMOF-74-Yazaydin/force_field_mixing_rules.def
forcefield/MgMOF-74-Yazaydin/pseudo_atoms.def
forcefield/Nicholas/force_field.def
forcefield/Nicholas/force_field_mixing_rules.def
forcefield/Nicholas/pseudo_atoms.def
forcefield/Pascual2004/force_field.def
forcefield/Pascual2004/force_field_mixing_rules.def
forcefield/Pascual2004/pseudo_atoms.def
forcefield/RigidIonKramer1991/force_field.def
forcefield/RigidIonKramer1991/force_field_mixing_rules.def
forcefield/RigidIonKramer1991/pseudo_atoms.def
forcefield/TraPPE/force_field.def
forcefield/TraPPE/force_field_mixing_rules.def
forcefield/TraPPE/pseudo_atoms.def
framework/AmirjalayerSchmid/framework.def
framework/CoreShellCatlow/framework.def
framework/CoreShellSastreGale2005/framework.def
framework/CoreShellSchroderSauer/framework.def
framework/Demontis/framework.def
framework/DemontisModified/framework.def
framework/Dubbeldam2007FlexibleIRMOF-1/framework.def
framework/Dubbeldam2007FlexibleIRMOF-10/framework.def
framework/Dubbeldam2007FlexibleIRMOF-16/framework.def
framework/Nicholas/framework.def
framework/NicholasModified/framework.def
molecules/CastilloVlugtCalero2009/benzene.def
molecules/CastilloVlugtCalero2009/m-xylene.def
molecules/CastilloVlugtCalero2009/o-xylene.def
molecules/CastilloVlugtCalero2009/p-xylene.def
molecules/CastilloVlugtCalero2009/toluene.def
molecules/EPM2/CO2.def
molecules/TraPPE/1-butene.def
molecules/TraPPE/2-cis-butene.def
molecules/TraPPE/2-ethyl-2-hexenal-cis.def
molecules/TraPPE/2-ethyl-2-hexenal-trans.def
molecules/TraPPE/2-methylbutane.def
molecules/TraPPE/2-methylheptane.def
molecules/TraPPE/2-methylhexane.def
molecules/TraPPE/2-methylpentane.def
molecules/TraPPE/2-trans-butene.def
molecules/TraPPE/22-dimethylbutane.def
molecules/TraPPE/22-dimethylhexane.def
molecules/TraPPE/22-dimethylpentane.def
molecules/TraPPE/223-trimethylbutane.def
molecules/TraPPE/224-trimethylpentane.def
molecules/TraPPE/22dmC8.def
molecules/TraPPE/23-dimethylbutane.def
molecules/TraPPE/23-dimethylhexane.def
molecules/TraPPE/23-dimethylpentane.def
molecules/TraPPE/24-dimethylhexane.def
molecules/TraPPE/24-dimethylpentane.def
molecules/TraPPE/24dmC8.def
molecules/TraPPE/25-dimethylhexane.def
molecules/TraPPE/27dmC8.def
molecules/TraPPE/2mC9.def
molecules/TraPPE/3-methylheptane.def
molecules/TraPPE/3-methylhexane.def
molecules/TraPPE/3-methylpentane.def
molecules/TraPPE/33-dimethylhexane.def
molecules/TraPPE/33-dimethylpentane.def
molecules/TraPPE/3mC9.def
molecules/TraPPE/4-methylheptane.def
molecules/TraPPE/44methylethyloctane_L.def
molecules/TraPPE/44methylethyloctane_R.def
molecules/TraPPE/4mC9.def
molecules/TraPPE/AsH3.def
molecules/TraPPE/BDC.def
molecules/TraPPE/C1.def
molecules/TraPPE/C10.def
molecules/TraPPE/C11.def
molecules/TraPPE/C12.def
molecules/TraPPE/C13.def
molecules/TraPPE/C14.def
molecules/TraPPE/C15.def
molecules/TraPPE/C16.def
molecules/TraPPE/C17.def
molecules/TraPPE/C18.def
molecules/TraPPE/C19.def
molecules/TraPPE/C2.def
molecules/TraPPE/C20.def
molecules/TraPPE/C21.def
molecules/TraPPE/C22.def
molecules/TraPPE/C23.def
molecules/TraPPE/C24.def
molecules/TraPPE/C25.def
molecules/TraPPE/C26.def
molecules/TraPPE/C27.def
molecules/TraPPE/C28.def
molecules/TraPPE/C2H2.def
molecules/TraPPE/C3.def
molecules/TraPPE/C4.def
molecules/TraPPE/C5.def
molecules/TraPPE/C6.def
molecules/TraPPE/C7.def
molecules/TraPPE/C8.def
molecules/TraPPE/C9.def
molecules/TraPPE/CO2.def
molecules/TraPPE/Cl.def
molecules/TraPPE/H2.def
molecules/TraPPE/H2S.def
molecules/TraPPE/IonN.def
molecules/TraPPE/IonP.def
molecules/TraPPE/LJ1.def
molecules/TraPPE/LJ2.def
molecules/TraPPE/N2.def
molecules/TraPPE/Na.def
molecules/TraPPE/NaCl.def
molecules/TraPPE/O2.def
molecules/TraPPE/PH3.def
molecules/TraPPE/argon.def
molecules/TraPPE/benzene.def
molecules/TraPPE/butane.def
molecules/TraPPE/calcium.def
molecules/TraPPE/chloride.def
molecules/TraPPE/chromene_R_flexible.def
molecules/TraPPE/decane.def
molecules/TraPPE/dimethylpropane.def
molecules/TraPPE/dodecane.def
molecules/TraPPE/ethane.def
molecules/TraPPE/ethanol.def
molecules/TraPPE/ethene.def
molecules/TraPPE/formaldehyde.def
molecules/TraPPE/helium.def
molecules/TraPPE/heptane.def
molecules/TraPPE/hexadecane.def
molecules/TraPPE/hexane.def
molecules/TraPPE/hydrogen.def
molecules/TraPPE/isobutane.def
molecules/TraPPE/isooctane.def
molecules/TraPPE/kalium.def
molecules/TraPPE/krypton.def
molecules/TraPPE/methane.def
molecules/TraPPE/methanol.def
molecules/TraPPE/neopentane.def
molecules/TraPPE/nonane.def
molecules/TraPPE/none.def
molecules/TraPPE/octane.def
molecules/TraPPE/pentane.def
molecules/TraPPE/propane.def
molecules/TraPPE/propene.def
molecules/TraPPE/sodium.def
molecules/TraPPE/undecane.def
molecules/TraPPE/water.def
molecules/TraPPE/xenon.def
molecules/TraPPE-EH/methane.def
molecules/TraPPE-UA/2-methylbutane.def
molecules/TraPPE-UA/2-methylpentane.def
molecules/TraPPE-UA/CO2.def
molecules/TraPPE-UA/butane.def
molecules/TraPPE-UA/dimethylpropane.def
molecules/TraPPE-UA/ethane.def
molecules/TraPPE-UA/heptane.def
molecules/TraPPE-UA/isobutane.def
molecules/TraPPE-UA/methane.def
molecules/TraPPE-UA/pentane.def
molecules/TraPPE-UA/propane.def
python/__init__.py
python/output_parser.py
python/raspa2.py
src/cbmc.c
src/cbmc.h
src/charge_equilibration.c
src/charge_equilibration.h
src/complex.c
src/complex.h
src/constants.c
src/constants.h
src/cubic_spline_1d.c
src/cubic_spline_1d.h
src/equations_of_state.c
src/equations_of_state.h
src/ewald.c
src/ewald.h
src/framework.c
src/framework.h
src/framework_born.c
src/framework_born.h
src/framework_energy.c
src/framework_energy.h
src/framework_force.c
src/framework_force.h
src/framework_hessian.c
src/framework_hessian.h
src/grids.c
src/grids.h
src/input.c
src/input.h
src/integrate.c
src/integrate.h
src/integration.c
src/integration.h
src/inter_born.c
src/inter_born.h
src/inter_energy.c
src/inter_energy.h
src/inter_force.c
src/inter_force.h
src/inter_hessian.c
src/inter_hessian.h
src/internal_born.c
src/internal_born.h
src/internal_energy.c
src/internal_energy.h
src/internal_force.c
src/internal_force.h
src/internal_hessian.c
src/internal_hessian.h
src/linear_equations.c
src/linear_equations.h
src/main.c
src/matrix.c
src/matrix.h
src/mc_moves.c
src/mc_moves.h
src/minimization.c
src/minimization.h
src/minimization_simulation.c
src/minimization_simulation.h
src/molecular_dynamics.c
src/molecular_dynamics.h
src/molecule.c
src/molecule.h
src/molecule_properties.c
src/molecule_properties.h
src/monte_carlo.c
src/monte_carlo.h
src/movies.c
src/movies.h
src/numerical.c
src/numerical.h
src/output.c
src/output.h
src/potentials.c
src/potentials.h
src/recrossing.c
src/recrossing.h
src/rigid.c
src/rigid.h
src/run.c
src/run.h
src/sample.c
src/sample.h
src/scattering_factors.c
src/scattering_factors.h
src/simulation.c
src/simulation.h
src/spacegroup.c
src/spacegroup.h
src/spectra.c
src/spectra.h
src/statistics.c
src/statistics.h
src/status.c
src/status.h
src/thermo_baro_stats.c
src/thermo_baro_stats.h
src/utils.c
src/utils.h
src/vector.c
src/vector.h
src/warnings.c
src/warnings.h
structures/block/ATS.block
structures/block/BOG_SI.block
structures/block/CHA_SI.block
structures/block/DDR.block
structures/block/DDR_ortho.block
structures/block/ERI_SI.block
structures/block/FAU.block
structures/block/FER.block
structures/block/GME.block
structures/block/ITQ-12.block
structures/block/ITQ-29.block
structures/block/ITQ-3.block
structures/block/LTA_SI.block
structures/block/LTL_SI.block
structures/block/MFI_Olson.block
structures/block/MFI_SI.block
structures/block/MFI_mono.block
structures/block/MOR_SI.block
structures/block/MTW.block
structures/block/TON.block
structures/block/test.block
structures/ceramics/cif/SWNT-1-14.cif
structures/ceramics/cif/SWNT-1-23.cif
structures/ceramics/cif/SWNT-10-11.cif
structures/ceramics/cif/SWNT-10-13.cif
structures/ceramics/cif/SWNT-11-18.cif
structures/ceramics/cif/SWNT-3-11.cif
structures/ceramics/cif/SWNT-3-20.cif
structures/ceramics/cif/SWNT-3-9.cif
structures/ceramics/cif/SWNT-4-14.cif
structures/ceramics/cif/graphite-sheet-10.25A.cif
structures/ceramics/cif/graphite-sheet-10.65A.cif
structures/ceramics/cif/graphite-sheet-11.0A.cif
structures/ceramics/cif/graphite-sheet-11.36A.cif
structures/ceramics/cif/graphite-sheet-12.0A.cif
structures/ceramics/cif/graphite-sheet-12.78A.cif
structures/ceramics/cif/graphite-sheet-13.25A.cif
structures/ceramics/cif/graphite-sheet-13.75A.cif
structures/ceramics/cif/graphite-sheet-14.2A.cif
structures/ceramics/cif/graphite-sheet-15.0A.cif
structures/ceramics/cif/graphite-sheet-15.62A.cif
structures/ceramics/cif/graphite-sheet-17.04A.cif
structures/ceramics/cif/graphite-sheet-18.46A.cif
structures/ceramics/cif/graphite-sheet-19.88A.cif
structures/ceramics/cif/graphite-sheet-8.52A.cif
structures/ceramics/cif/graphite-sheet-9.0A.cif
structures/ceramics/cif/graphite-sheet-9.5A.cif
structures/ceramics/cif/graphite-sheet-9.94A.cif
structures/ceramics/cif/graphite-square-channel-11.36A.cif
structures/ceramics/cif/graphite-square-channel-12.78A.cif
structures/ceramics/cif/graphite-square-channel-14.2A.cif
structures/ceramics/cif/graphite-square-channel-15.62A.cif
structures/ceramics/cif/graphite-square-channel-17.04A.cif
structures/ceramics/cif/graphite-square-channel-18.46A.cif
structures/ceramics/cif/graphite-square-channel-19.88A.cif
structures/ceramics/cif/graphite-square-channel-8.52A.cif
structures/ceramics/cif/graphite-square-channel-9.94A.cif
structures/ceramics/cif/graphite.cif
structures/ceramics/cif/graphite_ortho.cif
structures/cif/AEL.cif
structures/cif/AFI_SI.cif
structures/cif/AFX_SI.cif
structures/cif/ATS.cif
structures/cif/AlPO-17.cif
structures/cif/AlPO-5.cif
structures/cif/BEA.cif
structures/cif/BOG_SI.cif
structures/cif/CAN-12.cif
structures/cif/CFI.cif
structures/cif/CHA_SI.cif
structures/cif/CHA_SI_mono.cif
structures/cif/COF-1.cif
structures/cif/COF-102.cif
structures/cif/COF-103.cif
structures/cif/COF-105.cif
structures/cif/COF-108.cif
structures/cif/COF-202.cif
structures/cif/COF-300.cif
structures/cif/COF-5.cif
structures/cif/CON.cif
structures/cif/Cd3BTB2.cif
structures/cif/Co(2,6-NDP).cif
structures/cif/Co-DOBDC.cif
structures/cif/CoBDP-Dubbeldam.cif
structures/cif/CoBDP.cif
structures/cif/Cu-BTC.cif
structures/cif/DDR.cif
structures/cif/DON.cif
structures/cif/EMT.cif
structures/cif/ERI_SI.cif
structures/cif/FAU_SI.cif
structures/cif/FER.cif
structures/cif/GME.cif
structures/cif/IRMOF-1-Ar.cif
structures/cif/IRMOF-1.cif
structures/cif/IRMOF-10.cif
structures/cif/IRMOF-11.cif
structures/cif/IRMOF-12.cif
structures/cif/IRMOF-13.cif
structures/cif/IRMOF-14.cif
structures/cif/IRMOF-15.cif
structures/cif/IRMOF-16.cif
structures/cif/IRMOF-2.cif
structures/cif/IRMOF-3.cif
structures/cif/IRMOF-4.cif
structures/cif/IRMOF-5.cif
structures/cif/IRMOF-6.cif
structures/cif/IRMOF-7.cif
structures/cif/IRMOF-8.cif
structures/cif/IRMOF-9.cif
structures/cif/ISV.cif
structures/cif/ITQ-1.cif
structures/cif/ITQ-12.cif
structures/cif/ITQ-29.cif
structures/cif/ITQ-3.cif
structures/cif/ITQ-7.cif
structures/cif/KFI.cif
structures/cif/LAU.cif
structures/cif/LEV.cif
structures/cif/LTA4A.cif
structures/cif/LTA5A.cif
structures/cif/LTA_SI.cif
structures/cif/LTL_SI.cif
structures/cif/MAF-X8.cif
structures/cif/MAZ.cif
structures/cif/MEI.cif
structures/cif/MEL.cif
structures/cif/MFI_SI.cif
structures/cif/MFI_SI_Olson.cif
structures/cif/MFI_SI_mono.cif
structures/cif/MFI_para.cif
structures/cif/MFS.cif
structures/cif/MIL-100-primitive.cif
structures/cif/MIL-100.cif
structures/cif/MIL-101-primitive.cif
structures/cif/MIL-101.cif
structures/cif/MIL-140A-DFT.cif
structures/cif/MIL-140B-DFT.cif
structures/cif/MIL-140C-DFT.cif
structures/cif/MIL-140D-DFT.cif
structures/cif/MIL-47.cif
structures/cif/MIL-53(Cr)ht.cif
structures/cif/MIL-53(Cr)lt.cif
structures/cif/MIL-88A-dry.cif
structures/cif/MIL-88A-open.cif
structures/cif/MIL-88B-dry.cif
structures/cif/MIL-88B-open.cif
structures/cif/MIL-88C-dry.cif
structures/cif/MIL-88C-open.cif
structures/cif/MIL-88D-dry.cif
structures/cif/MIL-88D-open.cif
structures/cif/MOF-1-Dybtsev-dmol.cif
structures/cif/MOF-177.cif
structures/cif/MOF-177_ortho.cif
structures/cif/MOF-200.cif
structures/cif/MOF-205.cif
structures/cif/MOF-210-primitive.cif
structures/cif/MOF-210.cif
structures/cif/MOF-69c.cif
structures/cif/MOF-70.cif
structures/cif/MOF-72.cif
structures/cif/MOR_SI.cif
structures/cif/MTW_SI.cif
structures/cif/Mg-DOBDC.cif
structures/cif/MgMOF-74-VASP.cif
structures/cif/MgMOF-74-extended-VASP.cif
structures/cif/MgMOF-74.cif
structures/cif/NU-100SP-primitive.cif
structures/cif/NU-100SP.cif
structures/cif/NU-108-Cu-primitive.cif
structures/cif/NU-108-Cu.cif
structures/cif/NU-108-Zn.cif
structures/cif/NaX.cif
structures/cif/Ni-DOBDC.cif
structures/cif/OFF.cif
structures/cif/PAU.cif
structures/cif/PCN-60.cif
structures/cif/PCN-61.cif
structures/cif/PCN-68-primitive.cif
structures/cif/PCN-68.cif
structures/cif/RHO.cif
structures/cif/SAPO-47.cif
structures/cif/SAPO-56.cif
structures/cif/SFF.cif
structures/cif/SOD.cif
structures/cif/STF.cif
structures/cif/SWNT-1-14.cif
structures/cif/SWNT-1-23.cif
structures/cif/SWNT-10-11.cif
structures/cif/SWNT-10-13.cif
structures/cif/SWNT-11-18.cif
structures/cif/SWNT-3-11.cif
structures/cif/SWNT-3-20.cif
structures/cif/SWNT-3-9.cif
structures/cif/SWNT-4-14.cif
structures/cif/TON.cif
structures/cif/UIO-66.cif
structures/cif/UMCM-1.cif
structures/cif/VFI.cif
structures/cif/ZIF-1.cif
structures/cif/ZIF-10.cif
structures/cif/ZIF-11.cif
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structures/ions/IRMOF-1-Ar.ions
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structures/minerals/cif/quartz.cif
structures/mofs/cif/CAN-12.cif
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structures/mofs/cif/CoBDP-Dubbeldam.cif
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structures/mofs/cif/MOF-177_ortho.cif
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structures/mofs/cif/MOF-70.cif
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structures/mofs/cif/MgMOF-74-VASP.cif
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structures/mofs/cif/NU-100SP-primitive.cif
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structures/mofs/cif/ZIF-96.cif
structures/mofs/cif/ZIF-97.cif
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structures/mofs/cif/ZnBDC.cif
structures/mofs/cif/ZnBDCdabco.cif
structures/mofs/cif/ZnHBDC.cif
structures/mofs/cif/ZnMOF-74-VASP.cif
structures/mofs/cif/ZnMOF-74.cif
structures/mofs/cif/Zr-TPDC.cif
structures/mofs/ions/IRMOF-1-Ar.ions
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structures/zeolites/block/BOG_SI.block
structures/zeolites/block/CHA_SI.block
structures/zeolites/block/DDR.block
structures/zeolites/block/DDR_ortho.block
structures/zeolites/block/ERI_SI.block
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structures/zeolites/block/GME.block
structures/zeolites/block/ITQ-12.block
structures/zeolites/block/ITQ-29.block
structures/zeolites/block/ITQ-3.block
structures/zeolites/block/LTA_SI.block
structures/zeolites/block/LTL_SI.block
structures/zeolites/block/MFI_Olson.block
structures/zeolites/block/MFI_SI.block
structures/zeolites/block/MFI_mono.block
structures/zeolites/block/MOR_SI.block
structures/zeolites/block/MTW.block
structures/zeolites/block/TON.block
structures/zeolites/block/test.block
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structures/zeolites/cif/ATS.cif
structures/zeolites/cif/AlPO-17.cif
structures/zeolites/cif/AlPO-5.cif
structures/zeolites/cif/BEA.cif
structures/zeolites/cif/BOG_SI.cif
structures/zeolites/cif/CFI.cif
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structures/zeolites/cif/DON.cif
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structures/zeolites/cif/FAU_SI.cif
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structures/zeolites/cif/GME.cif
structures/zeolites/cif/ISV.cif
structures/zeolites/cif/ITQ-1.cif
structures/zeolites/cif/ITQ-12.cif
structures/zeolites/cif/ITQ-29.cif
structures/zeolites/cif/ITQ-3.cif
structures/zeolites/cif/ITQ-7.cif
structures/zeolites/cif/KFI.cif
structures/zeolites/cif/LAU.cif
structures/zeolites/cif/LEV.cif
structures/zeolites/cif/LTA4A.cif
structures/zeolites/cif/LTA5A.cif
structures/zeolites/cif/LTA_SI.cif
structures/zeolites/cif/LTL_SI.cif
structures/zeolites/cif/MAZ.cif
structures/zeolites/cif/MEI.cif
structures/zeolites/cif/MEL.cif
structures/zeolites/cif/MFI_SI.cif
structures/zeolites/cif/MFI_SI_Olson.cif
structures/zeolites/cif/MFI_SI_mono.cif
structures/zeolites/cif/MFI_para.cif
structures/zeolites/cif/MFS.cif
structures/zeolites/cif/MOR_SI.cif
structures/zeolites/cif/MTW_SI.cif
structures/zeolites/cif/NaX.cif
structures/zeolites/cif/OFF.cif
structures/zeolites/cif/PAU.cif
structures/zeolites/cif/RHO.cif
structures/zeolites/cif/SAPO-47.cif
structures/zeolites/cif/SAPO-56.cif
structures/zeolites/cif/SFF.cif
structures/zeolites/cif/SOD.cif
structures/zeolites/cif/STF.cif
structures/zeolites/cif/TON.cif
structures/zeolites/cif/VFI.cif