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Define an appropriate size for MAX_INTRAE_CONTRIBUTORS

Not consistently defined in debugfastergrad due to preliminar calcgradient implementation.

In debugfastergrad:

#define MAX_INTRAE_CONTRIBUTORS 8192

In master, which is more consistent and scalable:

#define MAX_INTRAE_CONTRIBUTORS MAX_NUM_OF_ATOMS * MAX_NUM_OF_ATOMS
Edited by Leonardo Solis