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fix mpi compiling error
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dzzz2001 committed Nov 14, 2024
1 parent 8614c82 commit 5b50b4c
Showing 1 changed file with 3 additions and 1 deletion.
4 changes: 3 additions & 1 deletion source/module_hamilt_lcao/module_gint/gint_k_pvpr.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -12,8 +12,10 @@
#include "module_basis/module_ao/ORB_read.h"
#include "module_cell/module_neighbor/sltk_grid_driver.h"
#include "module_hamilt_pw/hamilt_pwdft/global.h"
#include <mpi.h>
#include "module_hamilt_lcao/module_hcontainer/hcontainer_funcs.h"
#ifdef __MPI
#include <mpi.h>
#endif

// transfer_pvpR, NSPIN = 1 or 2
void Gint_k::transfer_pvpR(hamilt::HContainer<double>* hR, const UnitCell* ucell, Grid_Driver* gd)
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