2018-12-21 12:38:44 +01:00
|
|
|
# Automatically created by $QP_ROOT/scripts/module/module_handler.py
|
|
|
|
|
.ninja_deps
|
|
|
|
|
.ninja_log
|
2018-12-21 16:14:28 +01:00
|
|
|
/vortex/u/eginer/qp_toto/quantum_package/src/tools/diagonalize_h
|
|
|
|
|
/vortex/u/eginer/qp_toto/quantum_package/src/tools/fcidump
|
|
|
|
|
/vortex/u/eginer/qp_toto/quantum_package/src/tools/four_idx_transform
|
|
|
|
|
/vortex/u/eginer/qp_toto/quantum_package/src/tools/molden
|
|
|
|
|
/vortex/u/eginer/qp_toto/quantum_package/src/tools/save_natorb
|
|
|
|
|
/vortex/u/eginer/qp_toto/quantum_package/src/tools/save_ortho_mos
|
|
|
|
|
/vortex/u/eginer/qp_toto/quantum_package/src/tools/write_integrals_erf
|
2018-12-21 12:38:44 +01:00
|
|
|
IRPF90_man
|
|
|
|
|
IRPF90_temp
|
2018-11-28 11:03:10 +01:00
|
|
|
Makefile
|
2018-12-21 12:38:44 +01:00
|
|
|
Makefile.depend
|
2018-12-18 16:11:25 +01:00
|
|
|
ao_basis
|
|
|
|
|
ao_one_e_integrals
|
2018-12-21 16:14:28 +01:00
|
|
|
ao_two_e_erf_integrals
|
2018-12-20 16:45:21 +01:00
|
|
|
ao_two_e_integrals
|
2018-12-18 16:11:25 +01:00
|
|
|
bitmask
|
|
|
|
|
davidson
|
|
|
|
|
davidson_undressed
|
|
|
|
|
determinants
|
|
|
|
|
electrons
|
|
|
|
|
ezfio_files
|
2018-12-21 12:38:44 +01:00
|
|
|
ezfio_interface.irp.f
|
2018-12-18 16:11:25 +01:00
|
|
|
fci
|
|
|
|
|
generators_full
|
|
|
|
|
hartree_fock
|
2018-12-21 12:38:44 +01:00
|
|
|
irpf90.make
|
|
|
|
|
irpf90_entities
|
2018-12-18 16:11:25 +01:00
|
|
|
iterations
|
|
|
|
|
mo_basis
|
|
|
|
|
mo_guess
|
|
|
|
|
mo_one_e_integrals
|
2018-12-21 16:14:28 +01:00
|
|
|
mo_two_e_erf_integrals
|
2018-12-20 16:45:21 +01:00
|
|
|
mo_two_e_integrals
|
2018-12-18 16:11:25 +01:00
|
|
|
mpi
|
|
|
|
|
mrpt_utils
|
|
|
|
|
nuclei
|
|
|
|
|
perturbation
|
|
|
|
|
pseudo
|
|
|
|
|
psiref_cas
|
|
|
|
|
psiref_utils
|
2018-12-21 12:38:44 +01:00
|
|
|
scf_utils
|
2018-12-18 16:11:25 +01:00
|
|
|
selectors_full
|
|
|
|
|
selectors_utils
|
2018-12-21 12:38:44 +01:00
|
|
|
tags
|
2018-12-18 16:11:25 +01:00
|
|
|
utils
|
2018-12-21 12:38:44 +01:00
|
|
|
zmq
|
