CITATION
LICENSE
MANIFEST.in
README
setup.py
dlmontepython/__init__.py
dlmontepython/dlm_wham.py
dlmontepython.egg-info/PKG-INFO
dlmontepython.egg-info/SOURCES.txt
dlmontepython.egg-info/dependency_links.txt
dlmontepython.egg-info/requires.txt
dlmontepython.egg-info/top_level.txt
dlmontepython/fep/__init__.py
dlmontepython/fep/fep.py
dlmontepython/htk/__init__.py
dlmontepython/htk/ensemble.py
dlmontepython/htk/histogram.py
dlmontepython/htk/multihistogram.py
dlmontepython/htk/obs.py
dlmontepython/htk/parameter.py
dlmontepython/htk/util.py
dlmontepython/htk/sources/__init__.py
dlmontepython/htk/sources/dlcell.py
dlmontepython/htk/sources/dlconfig.py
dlmontepython/htk/sources/dlcontrol.py
dlmontepython/htk/sources/dlfeddat.py
dlmontepython/htk/sources/dlfedflavour.py
dlmontepython/htk/sources/dlfedmethod.py
dlmontepython/htk/sources/dlfedorder.py
dlmontepython/htk/sources/dlfield.py
dlmontepython/htk/sources/dlfieldspecies.py
dlmontepython/htk/sources/dlgen_config.py
dlmontepython/htk/sources/dlinteraction.py
dlmontepython/htk/sources/dlmonte.py
dlmontepython/htk/sources/dlmonte_filter.py
dlmontepython/htk/sources/dlmove.py
dlmontepython/htk/sources/dlptfile.py
dlmontepython/htk/sources/dlspcgroup.py
dlmontepython/htk/sources/dlsymmetryoperation.py
dlmontepython/htk/sources/dlthreebody.py
dlmontepython/htk/sources/dlunits.py
dlmontepython/htk/sources/dlutil.py
dlmontepython/htk/sources/ising.py
dlmontepython/htk/sources/isingdata.py
dlmontepython/htk/tests/__init__.py
dlmontepython/htk/tests/test_dlconfig.py
dlmontepython/htk/tests/test_dlcontrol.py
dlmontepython/htk/tests/test_dlfedflavour.py
dlmontepython/htk/tests/test_dlfedmethod.py
dlmontepython/htk/tests/test_dlfedorder.py
dlmontepython/htk/tests/test_dlfield.py
dlmontepython/htk/tests/test_dlinteraction.py
dlmontepython/htk/tests/test_dlmonte.py
dlmontepython/htk/tests/test_dlmove.py
dlmontepython/htk/tests/test_dlptfile.py
dlmontepython/htk/tests/test_dlunits.py
dlmontepython/htk/tests/test_dlutil.py
dlmontepython/htk/tests/test_ensemble.py
dlmontepython/htk/tests/test_histogram.py
dlmontepython/htk/tests/test_ising.py
dlmontepython/htk/tests/test_multihistogram.py
dlmontepython/htk/tests/test_parameter.py
dlmontepython/htk/tests/test_util.py
dlmontepython/simtask/__init__.py
dlmontepython/simtask/analysis.py
dlmontepython/simtask/dlmonteinterface.py
dlmontepython/simtask/measurement.py
dlmontepython/simtask/task.py
dlmontepython/simtask/tests/__init__.py
dlmontepython/simtask/tests/test_analysis.py
dlmontepython/simtask/tests/test_measurement.py
dlmontepython/simtask/tests/test_task.py
docs/tutorials/automated_isotherms/Tutorial_1_typical_zeolite/CONFIG
docs/tutorials/automated_isotherms/Tutorial_1_typical_zeolite/CONTROL
docs/tutorials/automated_isotherms/Tutorial_1_typical_zeolite/FIELD
docs/tutorials/automated_isotherms/Tutorial_1_typical_zeolite/OUTPUT.000
docs/tutorials/automated_isotherms/Tutorial_1_typical_zeolite/Tutorial_1_typical_zeolite.ipynb
docs/tutorials/automated_isotherms/Tutorial_1_typical_zeolite/nmol_1_sweep_copy.txt
docs/tutorials/automated_isotherms/Tutorial_2_Silicate/CONFIG
docs/tutorials/automated_isotherms/Tutorial_2_Silicate/CONTROL
docs/tutorials/automated_isotherms/Tutorial_2_Silicate/FIELD
docs/tutorials/automated_isotherms/Tutorial_2_Silicate/OUTPUT.000
docs/tutorials/automated_isotherms/Tutorial_2_Silicate/Tutorial_2_Silicalite.ipynb
docs/tutorials/automated_isotherms/Tutorial_2_Silicate/.ipynb_checkpoints/Tutorial_2_Silicalite-checkpoint.ipynb
docs/tutorials/automated_isotherms/Tutorial_3_high_throughput_calculations/CONFIG
docs/tutorials/automated_isotherms/Tutorial_3_high_throughput_calculations/CONTROL
docs/tutorials/automated_isotherms/Tutorial_3_high_throughput_calculations/FIELD
docs/tutorials/automated_isotherms/Tutorial_3_high_throughput_calculations/MASTER_FIELD
docs/tutorials/automated_isotherms/Tutorial_3_high_throughput_calculations/Tutorial_3_high_throughput_calculations.ipynb
docs/tutorials/htk/intro-dlmonte.ipynb
docs/tutorials/htk/intro-ising.html
docs/tutorials/htk/intro-ising.ipynb
docs/tutorials/htk/short_u004_2.7_s99_h.dat
docs/tutorials/htk/util-dlmonte.html
docs/tutorials/htk/util-dlmonte.ipynb
docs/tutorials/htk/util-dlmonte_with_output.html
docs/tutorials/htk/workflow.ipynb
docs/tutorials/htk/util-dlmonte_files/CONFIG
docs/tutorials/htk/util-dlmonte_files/CONTROL
docs/tutorials/htk/util-dlmonte_files/FIELD
docs/tutorials/simtask/CONFIG
docs/tutorials/simtask/CONTROL
docs/tutorials/simtask/FIELD
docs/tutorials/simtask/dlmonte_gcmc.ipynb
docs/tutorials/simtask/.ipynb_checkpoints/dlmonte_gcmc-checkpoint.ipynb
examples/fep/ch4/CONFIG
examples/fep/ch4/CONTROL
examples/fep/ch4/FEDDAT.000_200
examples/fep/ch4/FIELD
examples/fep/ch4/fep_ch4.py
examples/fep/ch4_surface_tension/FEDDAT.000_001
examples/fep/ch4_surface_tension/fep_example.py
examples/htk/MOF_adsorption/__init__.py
examples/htk/MOF_adsorption/Config_Field/__init__.py
examples/htk/MOF_adsorption/Config_Field/config_mof_adsorption.py
examples/htk/MOF_adsorption/Config_Field/config_setup.py
examples/htk/MOF_adsorption/Config_Field/example_1.py
examples/htk/MOF_adsorption/Config_Field/example_2.py
examples/htk/MOF_adsorption/Config_Field/example_3.py
examples/htk/MOF_adsorption/Config_Field/example_4.py
examples/htk/MOF_adsorption/Config_Field/mof_config.py
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF1.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/charges.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/yetmoreQs.zip
examples/htk/MOF_adsorption/Config_Field/JoesCharges/FJI1/FJI1.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/FJI1/FJI1.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/FJI1/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/FJI1/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/FJI1/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/FJI1/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/FJI1/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/FJI1/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/FJI1/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF0/IRMOF0.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF0/IRMOF0.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF0/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF0/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF0/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF0/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF0/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF0/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF0/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF0/.ipynb_checkpoints/detailed-checkpoint.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF1/IRMOF1.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF1/IRMOF1.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF1/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF1/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF1/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF1/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF1/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF1/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF1/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF10/IRMOF10.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF10/IRMOF10.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF10/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF10/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF10/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF10/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF10/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF10/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF10/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF12/IRMOF12.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF12/IRMOF12.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF12/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF12/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF12/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF12/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF12/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF12/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF12/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF14/IRMOF14.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF14/IRMOF14.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF14/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF14/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF14/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF14/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF14/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF14/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF14/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF16/IRMOF16.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF16/IRMOF16.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF16/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF16/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF16/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF16/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF16/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF16/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF16/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF3/IRMOF3.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF3/IRMOF3.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF3/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF3/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF3/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF3/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF3/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF3/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF3/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF3/.ipynb_checkpoints/detailed-checkpoint.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF4/IRMOF4.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF4/IRMOF4.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF4/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF4/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF4/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF4/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF4/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF4/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF4/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF5/IRMOF5.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF5/IRMOF5.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF5/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF5/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF5/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF5/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF5/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF5/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF5/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF6/IRMOF3.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF6/IRMOF6.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF6/IRMOF6.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF6/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF6/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF6/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF6/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF6/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF6/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF6/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF7/IRMOF7.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF7/IRMOF7.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF7/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF7/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF7/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF7/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF7/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF7/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF7/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF8/IRMOF8.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF8/IRMOF8.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF8/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF8/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF8/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF8/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF8/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF8/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/IRMOF8/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177/MOF177.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177/MOF177.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177_ortho/MOF177_ortho.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177_ortho/MOF177_ortho.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177_ortho/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177_ortho/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177_ortho/detailed.out
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examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF177_ortho/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF200/MOF200.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF200/MOF200.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF200/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF200/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF200/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF200/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF200/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF200/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF200/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF205/MOF205.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF205/MOF205.gen.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF205/MOF205.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF205/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF205/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF205/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF205/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF205/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF205/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF205/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF210/MOF210.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF210/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF210/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF210/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF210/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF210/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF210/dftb_pin.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/MOF210/results.tag
examples/htk/MOF_adsorption/Config_Field/JoesCharges/SNU70/SNU70.gen
examples/htk/MOF_adsorption/Config_Field/JoesCharges/SNU70/SNU70.log
examples/htk/MOF_adsorption/Config_Field/JoesCharges/SNU70/band.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/SNU70/charges.bin
examples/htk/MOF_adsorption/Config_Field/JoesCharges/SNU70/detailed.out
examples/htk/MOF_adsorption/Config_Field/JoesCharges/SNU70/detailed.xml
examples/htk/MOF_adsorption/Config_Field/JoesCharges/SNU70/dftb_in.hsd
examples/htk/MOF_adsorption/Config_Field/JoesCharges/SNU70/dftb_pin.hsd
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