fix(fortran): 修复 read_coord 中 line(0:0) 字符串越界导致崩溃
错误码 3221225785 (0xC0000005 = STATUS_ACCESS_VIOLATION) 由 read_coord 中列数统计的双重条件导致: line(i:i) /= ' ' .and. (i == 1 .or. line(i-1:i-1) == ' ') Fortran 不保证 .or. 短路求值,当 i=1 时 line(0:0) 触发 内存越界。拆分为嵌套 if 块,确保只有在 i>1 时才访问 line(i-1:i-1)。
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@@ -334,7 +334,13 @@ subroutine read_coord(input_dir, n_atoms, atom_ids, masses, radii, pos_0, vel_0,
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read(u, '(a)', iostat=ios) line
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ncols = 0
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do i = 1, len_trim(line)
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if (line(i:i) /= ' ' .and. (i == 1 .or. line(i-1:i-1) == ' ')) ncols = ncols + 1
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if (line(i:i) /= ' ') then
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if (i == 1) then
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ncols = ncols + 1
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else if (line(i-1:i-1) == ' ') then
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ncols = ncols + 1
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end if
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end if
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end do
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do
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