.. |
ao_basis
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Develop (#15)
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2019-03-07 16:29:06 +01:00 |
ao_one_e_ints
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minor name change
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2019-12-09 12:16:48 -06:00 |
ao_two_e_erf_ints
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added missing dependency inao_two_e_erf_ints/two_e_integrals_erf.irp.f
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2019-05-27 15:17:10 +02:00 |
ao_two_e_ints
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Fixed type conversions
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2019-12-03 00:15:01 +01:00 |
aux_quantities
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added the definition of the input density in the AO basis
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2019-04-09 00:10:01 +02:00 |
becke_numerical_grid
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changed some radiis for DFT
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2019-08-30 20:00:29 +02:00 |
bitmask
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Added imaginary EZFIO arrays for one-e
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2019-12-02 18:18:30 +01:00 |
casscf
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cleaned some dirty non ascii character
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2020-03-31 18:40:20 +02:00 |
cipsi
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Cleaning in CIPSI
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2020-03-07 11:41:08 +01:00 |
cis
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First python3 3 working installation
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2020-03-17 18:02:29 +01:00 |
cisd
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cleaned some dirty non ascii character
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2020-03-31 18:40:20 +02:00 |
davidson
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cleaned some dirty non ascii character
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2020-03-31 18:40:20 +02:00 |
davidson_dressed
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Initial commit
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2019-01-25 11:39:31 +01:00 |
davidson_undressed
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Initial commit
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2019-01-25 11:39:31 +01:00 |
density_for_dft
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First python3 3 working installation
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2020-03-17 18:02:29 +01:00 |
determinants
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cleaned some dirty non ascii character
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2020-03-31 18:40:20 +02:00 |
dft_keywords
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Develop (#10)
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2019-02-22 19:19:58 +01:00 |
dft_one_e
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First python3 3 working installation
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2020-03-17 18:02:29 +01:00 |
dft_utils_in_r
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changed some radiis for DFT
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2019-08-30 20:00:29 +02:00 |
dft_utils_one_e
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Merge Master (#69)
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2019-10-21 16:45:00 +02:00 |
dressing
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Initial commit
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2019-01-25 11:39:31 +01:00 |
dummy
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Develop (#15)
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2019-03-07 16:29:06 +01:00 |
electrons
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Initial commit
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2019-01-25 11:39:31 +01:00 |
ezfio_files
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Merge pull request #76 from QuantumPackage/features_emsl
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2020-02-12 14:39:15 -06:00 |
fci
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Fixed test file
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2020-02-05 16:49:59 +01:00 |
functionals
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Develop (#15)
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2019-03-07 16:29:06 +01:00 |
generators_cas
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Fixed small bugs
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2019-06-27 23:46:30 +02:00 |
generators_full
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Initial commit
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2019-01-25 11:39:31 +01:00 |
hartree_fock
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Fixing tests
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2020-02-05 14:27:28 +01:00 |
iterations
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Printing of components of energy:
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2019-06-05 15:38:05 +02:00 |
kohn_sham
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Develop (#10)
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2019-02-22 19:19:58 +01:00 |
kohn_sham_rs
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Fixing tests
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2020-02-05 13:11:04 +01:00 |
mo_basis
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Added imaginary EZFIO arrays for one-e
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2019-12-02 18:18:30 +01:00 |
mo_guess
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Initial commit
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2019-01-25 11:39:31 +01:00 |
mo_one_e_ints
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Rename e_n - n_e
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2020-03-24 09:09:54 +01:00 |
mo_two_e_erf_ints
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Initial commit
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2019-01-25 11:39:31 +01:00 |
mo_two_e_ints
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Fixed bug in get_d0
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2019-10-29 12:15:20 +01:00 |
mpi
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Initial commit
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2019-01-25 11:39:31 +01:00 |
nuclei
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minor name change
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2019-12-09 12:16:48 -06:00 |
perturbation
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First python3 3 working installation
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2020-03-17 18:02:29 +01:00 |
pseudo
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Initial commit
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2019-01-25 11:39:31 +01:00 |
psiref_cas
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Initial commit
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2019-01-25 11:39:31 +01:00 |
psiref_utils
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Initial commit
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2019-01-25 11:39:31 +01:00 |
scf_utils
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Merge localhost:qp2 into dev
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2020-03-06 13:57:08 +01:00 |
selectors_cassd
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Warnings in documentation
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2019-01-29 17:09:08 +01:00 |
selectors_full
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Fixed previous commit
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2019-07-02 23:30:36 +02:00 |
selectors_utils
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Initial commit
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2019-01-25 11:39:31 +01:00 |
single_ref_method
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Initial commit
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2019-01-25 11:39:31 +01:00 |
tools
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cleaned some dirty non ascii character
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2020-03-31 18:40:20 +02:00 |
two_body_rdm
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Shortened file names
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2019-10-28 18:24:48 +01:00 |
utils
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Fixed type conversions
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2019-12-03 00:15:01 +01:00 |
utils_periodic
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Slowly merging periodic in dev
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2020-03-18 16:35:41 +01:00 |
zmq
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Added f77_zmq_free.h for gfortran
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2020-03-05 14:19:43 +01:00 |
README.rst
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Initial commit
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2019-01-25 11:39:31 +01:00 |