Describe the bug
Dear developer,
I use out_mat_l to output the matrix L. However, when the number of atoms exceeds 150, the files Lx.dat, Ly.dat, and Lz.dat produce irregular results. Specifically, lines 10 and 11 become indistinguishable, and the last two lines exhibit the same issue.
In contrast, out_mat_l outputs regular, expected results for systems with a smaller number of atoms. For instance, the system in Figure 2, which contains 14 atoms, works correctly, while the system in Figure 1, with over 150 atoms, shows the described irregularities.
Expected behavior
No response
To Reproduce
No response
Environment
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Additional Context
No response
Task list for Issue attackers (only for developers)
Describe the bug
Dear developer,
I use out_mat_l to output the matrix L. However, when the number of atoms exceeds 150, the files Lx.dat, Ly.dat, and Lz.dat produce irregular results. Specifically, lines 10 and 11 become indistinguishable, and the last two lines exhibit the same issue.
In contrast, out_mat_l outputs regular, expected results for systems with a smaller number of atoms. For instance, the system in Figure 2, which contains 14 atoms, works correctly, while the system in Figure 1, with over 150 atoms, shows the described irregularities.
Expected behavior
No response
To Reproduce
No response
Environment
No response
Additional Context
No response
Task list for Issue attackers (only for developers)