Implemented write_1e_int_eri and write_2e_int_eri
#168
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Dear @scemama, @q-posev, and @NastaMauger
[Writing]
write_eri(write_mo_2e_int_eri) -> Completed. Another pull-request.write_eri-> Completed. Another pull-request.I've implemented
write_1e_int_eriandwrite_2e_int_eriin my forked branch, with support for bothAOandMOintegrals. Could you help me with some cross-software tests to validate the implementation? I don't have much experience working directly with 1e/2e integrals, since I haven't needed them in my previous projects. Do you have any suggestions for good validation checks of my implementations?p.s. Dear @sunqm, The GitHub CI shows failures in several tests unrelated to the TREXIO changes. Could you confirm whether these failures are expected on the current main branch?