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Commit e133c0f3 authored by Kurt A. O'Hearn's avatar Kurt A. O'Hearn
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sPuReMD: fix atom element name setting in QMMM code path (reset_qmmm).

parent 56b3f593
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......@@ -1127,6 +1127,8 @@ int reset_qmmm( const void * const handle, int qm_num_atoms,
sim_box_info[3], sim_box_info[4], sim_box_info[5],
&spmd_handle->system->box );
element[2] = '\0';
for ( i = 0; i < spmd_handle->system->N_qm; ++i )
{
x[0] = qm_pos[3 * i];
......
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