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Searched refs:My_Total_SpinS (Results 1 – 1 of 1) sorted by relevance

/dports/science/openmx/openmx3.8/source/
H A DMulliken_Charge.c30 double MulP[4],My_Total_SpinS; in Mulliken_Charge() local
91 My_Total_SpinS = 0.0; in Mulliken_Charge()
254 My_Total_SpinS += 0.5*(InitN_USpin[Gc_AN] - InitN_DSpin[Gc_AN]); in Mulliken_Charge()
293 MPI_Allreduce(&My_Total_SpinS, &Total_SpinS, 1, MPI_DOUBLE, MPI_SUM, mpi_comm_level1); in Mulliken_Charge()