mirror of
https://github.com/LCPQ/quantum_package
synced 2024-09-27 03:51:01 +02:00
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 |
||
---|---|---|
.. | ||
compilation | ||
ezfio_interface | ||
module | ||
utility | ||
.gitignore | ||
generate_h_apply.py | ||
get_basis.sh | ||
perturbation.py | ||
qp_bitmasks.py | ||
qp_e_conv_fci | ||
qp_export_as_tgz | ||
qp_mpirun | ||
qp_plugins | ||
qp_set_frozen_core | ||
qp_srun | ||
qp_test | ||
save_current_mos.sh |