Changed data types in currently unused sort method to also work with single precision floating numbers
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@ -519,21 +519,21 @@ void sortAtom(Atom* atom) {
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}
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}
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#ifdef AOS
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#ifdef AOS
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double* new_x = (double*) malloc(Nmax * sizeof(MD_FLOAT) * 3);
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MD_FLOAT* new_x = (MD_FLOAT*) malloc(Nmax * sizeof(MD_FLOAT) * 3);
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double* new_vx = (double*) malloc(Nmax * sizeof(MD_FLOAT) * 3);
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MD_FLOAT* new_vx = (MD_FLOAT*) malloc(Nmax * sizeof(MD_FLOAT) * 3);
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#else
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#else
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double* new_x = (double*) malloc(Nmax * sizeof(MD_FLOAT));
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MD_FLOAT* new_x = (MD_FLOAT*) malloc(Nmax * sizeof(MD_FLOAT));
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double* new_y = (double*) malloc(Nmax * sizeof(MD_FLOAT));
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MD_FLOAT* new_y = (MD_FLOAT*) malloc(Nmax * sizeof(MD_FLOAT));
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double* new_z = (double*) malloc(Nmax * sizeof(MD_FLOAT));
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MD_FLOAT* new_z = (MD_FLOAT*) malloc(Nmax * sizeof(MD_FLOAT));
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double* new_vx = (double*) malloc(Nmax * sizeof(MD_FLOAT));
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MD_FLOAT* new_vx = (MD_FLOAT*) malloc(Nmax * sizeof(MD_FLOAT));
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double* new_vy = (double*) malloc(Nmax * sizeof(MD_FLOAT));
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MD_FLOAT* new_vy = (MD_FLOAT*) malloc(Nmax * sizeof(MD_FLOAT));
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double* new_vz = (double*) malloc(Nmax * sizeof(MD_FLOAT));
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MD_FLOAT* new_vz = (MD_FLOAT*) malloc(Nmax * sizeof(MD_FLOAT));
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#endif
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#endif
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double* old_x = atom->x; double* old_y = atom->y; double* old_z = atom->z;
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MD_FLOAT* old_x = atom->x; MD_FLOAT* old_y = atom->y; MD_FLOAT* old_z = atom->z;
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double* old_vx = atom->vx; double* old_vy = atom->vy; double* old_vz = atom->vz;
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MD_FLOAT* old_vx = atom->vx; MD_FLOAT* old_vy = atom->vy; MD_FLOAT* old_vz = atom->vz;
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for(int mybin = 0; mybin<mbins; mybin++) {
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for(int mybin = 0; mybin<mbins; mybin++) {
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int start = mybin>0?binpos[mybin-1]:0;
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int start = mybin>0?binpos[mybin-1]:0;
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