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Correct the forward communication at ik differentiation mode in pppm_…
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…dplr (#1637)

* explicitly set neighbor request to full in compute deeptensor/atom to fix bug #1381

* Corrected the pppm_dplr forward communication for ik differentiation mode at LAMMPS version >= 20210831.
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Yi-FanLi committed Apr 15, 2022
1 parent e0ca6ad commit 92d24d0
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion source/lmp/pppm_dplr.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -138,7 +138,7 @@ void PPPMDPLR::compute(int eflag, int vflag)
#endif
else
#if LAMMPS_VERSION_NUMBER>=20210831
gc->forward_comm(GridComm::KSPACE,this,1,sizeof(FFT_SCALAR),FORWARD_IK,
gc->forward_comm(GridComm::KSPACE,this,3,sizeof(FFT_SCALAR),FORWARD_IK,
gc_buf1,gc_buf2,MPI_FFT_SCALAR);
#else
gc->forward_comm_kspace(this,3,sizeof(FFT_SCALAR),FORWARD_IK,
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