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Fix: md restart can not read STRU
1 parent d55dc22 commit 47d8197

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+19
-17
lines changed

1 file changed

+19
-17
lines changed

source/module_io/read_set_globalv.cpp

Lines changed: 19 additions & 17 deletions
Original file line numberDiff line numberDiff line change
@@ -21,31 +21,33 @@ void ReadInput::set_globalv(Parameter& para)
2121
/// get the global output directory
2222
para.sys.global_matrix_dir = para.globalv.global_out_dir + "matrix/";
2323
para.sys.global_matrix_dir = to_dir(para.sys.global_matrix_dir);
24-
24+
2525
/// get the global readin directory
26-
if (para.inp.read_file_dir == "auto")
27-
{
28-
para.sys.global_readin_dir = para.globalv.global_out_dir;
29-
}
30-
else
31-
{
32-
para.sys.global_readin_dir = para.inp.read_file_dir + '/';
33-
}
26+
// if (para.inp.read_file_dir == "auto")
27+
// {
28+
// para.sys.global_readin_dir = para.globalv.global_out_dir;
29+
// }
30+
// else
31+
// {
32+
// para.sys.global_readin_dir = para.inp.read_file_dir + '/';
33+
// }
34+
para.sys.global_readin_dir = para.inp.read_file_dir + '/';
3435
para.sys.global_readin_dir = to_dir(para.sys.global_readin_dir);
3536

3637
/// get the stru file for md restart case
3738
if (para.inp.calculation == "md" && para.mdp.md_restart)
3839
{
3940
int istep = current_md_step(para.sys.global_readin_dir);
41+
para.sys.global_in_stru = para.sys.global_stru_dir + "STRU_MD_" + std::to_string(istep);
4042

41-
if (para.inp.read_file_dir == "auto")
42-
{
43-
para.sys.global_in_stru = para.sys.global_stru_dir + "STRU_MD_" + std::to_string(istep);
44-
}
45-
else
46-
{
47-
para.sys.global_in_stru = para.inp.read_file_dir + "STRU_MD_" + std::to_string(istep);
48-
}
43+
// if (para.inp.read_file_dir == "auto")
44+
// {
45+
// para.sys.global_in_stru = para.sys.global_stru_dir + "STRU_MD_" + std::to_string(istep);
46+
// }
47+
// else
48+
// {
49+
// para.sys.global_in_stru = para.inp.read_file_dir + "STRU_MD_" + std::to_string(istep);
50+
// }
4951
}
5052
else
5153
{

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