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https://github.com/LCPQ/quantum_package
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3c6942c690
* Add new IO point for beter restarting * Fix configure for bats * Fix missing file. Standardize the way to construct hamiltonien * Do not provide *_pseudo_integral if not needed. Remove false dependency in the dataflow graph * Add automatic generation of provider for disk_acess * Fix naming of provider from Disk_acess * Fix diskacess generation * Remove spurious files * Change logic in naming * Add more layer of io for ao_one_e_integrals * Add IO layer for MO one e fix AO one * Why not... * Update configure |
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.. | ||
ei_handler.py | ||
ezfio_generate_ocaml.py | ||
ezfio_generate_provider.py | ||
qp_convert_output_to_ezfio | ||
qp_edit_template |