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QuantumPackage/src
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Anthony Scemama 9b0d38fb7b Reduced RAM in pt2 slaves
2019-01-31 11:26:13 +01:00
..
ao_basis
Warnings in documentation
2019-01-29 17:09:08 +01:00
ao_one_e_ints
Warnings in documentation
2019-01-29 17:09:08 +01:00
ao_two_e_erf_ints
Warnings in documentation
2019-01-29 17:09:08 +01:00
ao_two_e_ints
Warnings in documentation
2019-01-29 17:09:08 +01:00
aux_quantities
Folder -> directory
2019-01-29 23:10:00 +01:00
becke_numerical_grid
Initial commit
2019-01-25 11:39:31 +01:00
bitmask
Initial commit
2019-01-25 11:39:31 +01:00
cipsi
Reduced RAM in pt2 slaves
2019-01-31 11:26:13 +01:00
cis
Warnings in documentation
2019-01-29 17:09:08 +01:00
cisd
Folder -> directory
2019-01-29 23:10:00 +01:00
davidson
Warnings in documentation
2019-01-29 17:09:08 +01:00
davidson_dressed
Initial commit
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davidson_undressed
Initial commit
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density_for_dft
Folder -> directory
2019-01-29 23:10:00 +01:00
determinants
Folder -> directory
2019-01-29 23:10:00 +01:00
dft_keywords
Initial commit
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dft_utils_in_r
Warnings in documentation
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dft_utils_one_e
Initial commit
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dressing
Initial commit
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dummy
Initial commit
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electrons
Initial commit
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ezfio_files
Initial commit
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fci
Folder -> directory
2019-01-29 23:10:00 +01:00
generators_cas
Initial commit
2019-01-25 11:39:31 +01:00
generators_full
Initial commit
2019-01-25 11:39:31 +01:00
hartree_fock
Warnings in documentation
2019-01-29 17:09:08 +01:00
iterations
Initial commit
2019-01-25 11:39:31 +01:00
kohn_sham
Initial commit
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kohn_sham_rs
Initial commit
2019-01-25 11:39:31 +01:00
mo_basis
Warnings in documentation
2019-01-29 17:09:08 +01:00
mo_guess
Initial commit
2019-01-25 11:39:31 +01:00
mo_one_e_ints
Initial commit
2019-01-25 11:39:31 +01:00
mo_two_e_erf_ints
Initial commit
2019-01-25 11:39:31 +01:00
mo_two_e_ints
Initial commit
2019-01-25 11:39:31 +01:00
mpi
Initial commit
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nuclei
Initial commit
2019-01-25 11:39:31 +01:00
perturbation
Introduced HF denominator
2019-01-31 11:20:17 +01:00
pseudo
Initial commit
2019-01-25 11:39:31 +01:00
psiref_cas
Initial commit
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psiref_utils
Initial commit
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scf_utils
Warnings in documentation
2019-01-29 17:09:08 +01:00
selectors_cassd
Warnings in documentation
2019-01-29 17:09:08 +01:00
selectors_full
Initial commit
2019-01-25 11:39:31 +01:00
selectors_utils
Initial commit
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single_ref_method
Initial commit
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tools
Folder -> directory
2019-01-29 23:10:00 +01:00
utils
Initial commit
2019-01-25 11:39:31 +01:00
zmq
Reduced ZMQ buffers
2019-01-29 21:48:59 +01:00
README.rst
Initial commit
2019-01-25 11:39:31 +01:00

README.rst 

==========================
The core modules of the QP
==========================