Kohei Shinohara lan496

## pymatviz_sandbox.ipynb

      
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              December 18, 2023 12:12
            
              
                Plot scalar values for elements by pymatviz
              
          
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## seaborn_plotly.ipynb

      
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                / seaborn_plotly.ipynb
            
            
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              January 11, 2024 12:10
            
          
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## plot_ase_filters.ipynb

      
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              Created
              October 21, 2023 03:23
            
          
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## kpoint.py
from itertools import product, combinations
from typing import List

import numpy as np
from pymatgen.core import Structure
from tqdm import tqdm

from dsenum.permutation_group import DerivativeMultiLatticeHash
from dsenum.superlattice import generate_all_superlattices, reduce_HNF_list_by_parent_lattice_symmetry
from dsenum.utils import get_symmetry_operations

## mp_magnetism.ipynb

      
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                / mp_magnetism.ipynb
            
            
              Created
              August 11, 2022 01:57
            
              
                Example usage of `spglib.get_magnetic_symmetry_dataset`
              
          
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## CDML.ipynb

      
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                / CDML.ipynb
            
            
              Created
              July 6, 2022 01:44
            
          
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## zbl.ipynb

      
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                / zbl.ipynb
            
            
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              February 14, 2024 12:48
            
              
                Ziegler-Biersack-Littmark (ZBL) potential
              
          
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## lammps_minimize.ipynb

      
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              Created
              January 12, 2022 05:56
            
          
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## benchmark_structure_creation.ipynb

      
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              November 26, 2021 02:29
            
              
                Benchmark for creating structure objects
              
          
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## staticcrsgraph.cpp
#include <vector>
#include <cassert>
#include <iostream>

#include "Kokkos_Core.hpp"
#include "Kokkos_StaticCrsGraph.hpp"

// StaticGraphType<DataType, Space, Layout, MemoryTrait, SizeType>
using Space = Kokkos::DefaultExecutionSpace;
using StaticCrsGraphType = Kokkos::StaticCrsGraph<int, Space, void, void, int>;
	from itertools import product, combinations
	from typing import List

	import numpy as np
	from pymatgen.core import Structure
	from tqdm import tqdm

	from dsenum.permutation_group import DerivativeMultiLatticeHash
	from dsenum.superlattice import generate_all_superlattices, reduce_HNF_list_by_parent_lattice_symmetry
	from dsenum.utils import get_symmetry_operations
	#include <vector>
	#include <cassert>
	#include <iostream>

	#include "Kokkos_Core.hpp"
	#include "Kokkos_StaticCrsGraph.hpp"

	// StaticGraphType<DataType, Space, Layout, MemoryTrait, SizeType>
	using Space = Kokkos::DefaultExecutionSpace;
	using StaticCrsGraphType = Kokkos::StaticCrsGraph<int, Space, void, void, int>;