LICENSE
MANIFEST.in
README.md
setup.cfg
setup.py
examples/MD.tar
examples/2D_MoS2/DFT_Shear_strength.dat
examples/2D_MoS2/DFT_Tensile_biaxial_strength.dat
examples/2D_MoS2/DFT_Tensile_x_strength.dat
examples/2D_MoS2/DFT_Tensile_y_strength.dat
examples/2D_MoS2/DFT_indent_strength_strength.dat
examples/2D_MoS2/DFT_struct_Shear.ss
examples/2D_MoS2/DFT_struct_Tensile_biaxial.ss
examples/2D_MoS2/DFT_struct_Tensile_x.ss
examples/2D_MoS2/DFT_struct_Tensile_y.ss
examples/2D_MoS2/DFT_struct_ideal_strength.ss
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examples/2D_MoS2/DFT_ys2dstress_Tensile_biaxial.out
examples/2D_MoS2/DFT_ys2dstress_Tensile_x.out
examples/2D_MoS2/DFT_ys2dstress_Tensile_y.out
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examples/2D_MoS2/INCARs
examples/2D_MoS2/KPOINTS-sd
examples/2D_MoS2/MoS2.vasp
examples/2D_MoS2/computetime.log
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examples/2D_MoS2/schmid_factor.dat
examples/2D_MoS2/smatool.in
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examples/2D_MoS2/ys2dstress_Tensile_y_20231212-121432.backup
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examples/BN_Nanoribbon/DFT_Tensile_y_strength.dat
examples/BN_Nanoribbon/DFT_Tensile_z_strength.dat
examples/BN_Nanoribbon/DFT_ideal_strength_strength.dat
examples/BN_Nanoribbon/DFT_struct_Shear.ss
examples/BN_Nanoribbon/DFT_struct_Tensile_biaxial.ss
examples/BN_Nanoribbon/DFT_struct_Tensile_x.ss
examples/BN_Nanoribbon/DFT_struct_Tensile_y.ss
examples/BN_Nanoribbon/DFT_struct_Tensile_z.ss
examples/BN_Nanoribbon/DFT_struct_ideal_strength.ss
examples/BN_Nanoribbon/DFT_ys2dstress_Shear.out
examples/BN_Nanoribbon/DFT_ys2dstress_Tensile_biaxial.out
examples/BN_Nanoribbon/DFT_ys2dstress_Tensile_x.out
examples/BN_Nanoribbon/DFT_ys2dstress_Tensile_y.out
examples/BN_Nanoribbon/DFT_ys2dstress_Tensile_z.out
examples/BN_Nanoribbon/DFT_ys2dstress_ideal_strength.out
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examples/BN_Nanoribbon/computetime.log
examples/BN_Nanoribbon/smatool.in
examples/BN_Nanoribbon/ystool.in
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examples/Graphene/DFT_indent_strength_strength.dat
examples/Graphene/DFT_struct_Shear.ss
examples/Graphene/DFT_struct_Tensile_biaxial.ss
examples/Graphene/DFT_struct_Tensile_x.ss
examples/Graphene/DFT_struct_Tensile_y.ss
examples/Graphene/DFT_struct_ideal_strength.ss
examples/Graphene/DFT_struct_indent_strength.ss
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examples/SWCNT_BNNT/5_0_BN/INCARs
examples/SWCNT_BNNT/5_0_BN/KPOINTS-sd
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examples/SWCNT_BNNT/5_0_BN/nanotube.vasp
examples/SWCNT_BNNT/5_0_BN/nanotube_optimized.vasp
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examples/SWCNT_BNNT/5_0_C/INCARs
examples/SWCNT_BNNT/5_0_C/KPOINTS-sd
examples/SWCNT_BNNT/5_0_C/computetime.log
examples/SWCNT_BNNT/5_0_C/nanotube.vasp
examples/SWCNT_BNNT/5_0_C/nanotube_optimized.vasp
examples/SWCNT_BNNT/5_0_C/smatool.in
examples/SWCNT_BNNT/5_5_BN/DFT_Tensile_z_strength.dat
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examples/SWCNT_BNNT/5_5_BN/INCARs
examples/SWCNT_BNNT/5_5_BN/KPOINTS-sd
examples/SWCNT_BNNT/5_5_BN/nanotube.vasp
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examples/SWCNT_BNNT/5_5_C/nanotube_optimized.vasp
examples/SWCNT_BNNT/5_5_C/smatool.in
examples/cBN/QE/DFT_Shear_strength.dat
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examples/cBN/QE/DFT_Tensile_y_strength.dat
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examples/cBN/QE/DFT_ideal_strength_strength.dat
examples/cBN/QE/DFT_struct_Shear.ss
examples/cBN/QE/DFT_struct_Tensile_biaxial.ss
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examples/cBN/QE/DFT_struct_Tensile_y.ss
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examples/cBN/VASP/DFT_Tensile_y_strength.dat
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examples/cBN/VASP/DFT_struct_Tensile_biaxial.ss
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examples/cBN/VASP/DFT_struct_Tensile_y.ss
examples/cBN/VASP/DFT_struct_ideal_strength.ss
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examples/hex_Diamond/DFT_Shear_strength.dat
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src/__init__.py
src/calculate_stress.py
src/calculate_stress_qe.py
src/elastic_energydensity.py
src/euler_angles_rotation.py
src/get_youngs_modulus.py
src/modify_incar.py
src/optimize_struct.py
src/optimize_struct_qe.py
src/process_stress.py
src/process_struct.py
src/read_write.py
src/shear_tensile_constraint.py
src/smatool
src/stress_read_write.py
src/write_inputs.py
src/smatool.egg-info/PKG-INFO
src/smatool.egg-info/SOURCES.txt
src/smatool.egg-info/dependency_links.txt
src/smatool.egg-info/requires.txt
src/smatool.egg-info/top_level.txt
utility/README.txt
utility/download_qe_pseudo.py
utility/pseudo.info
utility/qepotential
utility/setup.py
utility/build/lib/download_qe_pseudo.py
utility/build/scripts-3.11/download_qe_pseudo.py
utility/build/scripts-3.9/download_qe_pseudo.py
utility/qe_potential.egg-info/PKG-INFO
utility/qe_potential.egg-info/SOURCES.txt
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utility/qe_potential.egg-info/not-zip-safe
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