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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00
quantum_package/scripts
2015-12-08 15:03:56 +01:00
..
compilation touch only if executable 2015-12-08 15:03:56 +01:00
ezfio_interface
module configure OK with ZeroMQ 2015-12-01 12:34:24 +01:00
pseudo
utility
.gitignore
generate_h_apply.py Accelerated diagonal element calculations in PT2 2015-11-24 17:01:09 +01:00
get_basis.sh Corrected bug with multiple basis sets 2015-11-22 15:18:51 +01:00
make_binary.sh
perturbation.py
qp_bitmasks.py
qp_set_frozen_core.py
save_current_mos.sh