mirror of
https://github.com/LCPQ/quantum_package
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c7894e3419
* minor changes in README.rst of many src files * added ROHF_b2.gms.out * modified some scripts * modified README.rst * modifs in docs/intro * added qp_e_conv_fci * changed the doc * added some README.rst * modifs in docs * introduced the sgn grids * added 21.rsks.bats |
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.. | ||
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 |