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cleaning up #75

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Merged
Vaibhav-Chemistry merged 1 commit into from
Feb 4, 2026
Merged

cleaning up #75

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14 changes: 0 additions & 14 deletions examples/main.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -119,20 +119,6 @@ void do_jellium(int natoms, int Ne, vector<vector<double> > basis, vector<vector

printf("\n done with Jellium integrals \n\n");

// ADD THIS SECTION HERE to test compute_Exyz_slaussian
printf("\n Testing compute_Exyz_slaussian \n");

double* E = new double[3*N2](); // Initialize to zeros
#pragma acc enter data create(E[0:3*N2])

compute_Exyz_slaussian(Rc, basis, nrad, nang, ang_g, ang_w, E, prl);

#pragma acc exit data delete(E[0:3*N2])
delete [] E;

printf("\n done testing compute_Exyz_slaussian \n\n");
// END OF ADDED SECTION

//cleanup
#pragma acc exit data delete(En[0:N2])
#pragma acc enter data create(S[0:N2],T[0:N2],A[0:Na2],C[0:N2a])
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