theochem
General class for N body grid integrations
Added module and class for generic N grid integrations. This class is the base framework and on top of it, some porcelain will be added for the coulomb-exchange integrals.
Thanks, @PaulWAyers for your feedback. I will certainly make the tutorial. Before that, I plan to implement the porcelain needed for the class so that the obtained grid (used for representing the k-electron distribution function) can be used for calculating the coulomb type integrals seamlessly (without having undefined values for any of the points).
At first I'd just compute normalization of the distribution functions. Then we can work on coulomb integrals in a second step.
@sanchezw17 The Basegrid should not be changed to accommodate the Ngrid class. I will work on an example and see if I can reproduce your problem.
@sanchezw17 I made the corrections to the ngrid and added some tests. Now It is possible to use grids of different dimensions for the same function. At some point an example notebook will be needed but for now, you can see the tests. Please let me know if you have any problem after the corrections.