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#include <cstdlib> |
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#include <cstdio> |
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#include <cstring> |
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#include <stdlib.h> |
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#include <stdio.h> |
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#include <string.h> |
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#include <iostream> |
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using namespace std; |
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double mass; |
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double lattice_constant; |
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double eam_drho; // The distance between each of the points indexed by rho. |
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double eam_rcut; // The cutoff radius for eam. |
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double eam_dr; // The distance between each of the rho points. |
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int eam_nrho; // Number of points indexed by rho |
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int eam_nr; // The number of points based on r (Both Phi(r) and Rho(r)). |
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double eam_rcut; // The cutoff radius for eam. |
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int eam_ident; // Atomic number |
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int ident; |
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int last; // 0 -> default |
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// Init the atomStruct mpi type |
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atomStruct atomProto; // mpiPrototype |
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int atomBC[3] = {15,4,6}; // block counts |
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int atomBC[3] = {15,5,5}; // block counts |
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MPI_Aint atomDspls[3]; // displacements |
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MPI_Datatype atomMbrTypes[3]; // member mpi types |
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