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ao_basis
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Merge branch 'master' into develop
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2019-02-06 15:30:18 +01:00 |
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ao_one_e_ints
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Warnings in documentation
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2019-01-29 17:09:08 +01:00 |
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ao_two_e_erf_ints
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Warnings in documentation
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2019-01-29 17:09:08 +01:00 |
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ao_two_e_ints
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Warnings in documentation
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2019-01-29 17:09:08 +01:00 |
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aux_quantities
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Folder -> directory
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2019-01-29 23:10:00 +01:00 |
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becke_numerical_grid
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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bitmask
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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cipsi
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Fixed bug with zero beta electrons
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2019-02-20 11:24:38 +01:00 |
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cis
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Warnings in documentation
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2019-01-29 17:09:08 +01:00 |
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cisd
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Folder -> directory
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2019-01-29 23:10:00 +01:00 |
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davidson
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Fixed davidson ZMQ termination
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2019-02-05 18:44:03 +01:00 |
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davidson_dressed
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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davidson_undressed
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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density_for_dft
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Folder -> directory
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2019-01-29 23:10:00 +01:00 |
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determinants
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Merge branch 'master' into develop-manus
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2019-02-21 09:28:50 +01:00 |
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dft_keywords
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modif TODO
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2019-02-11 15:52:49 +01:00 |
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dft_one_e
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merged
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2019-02-11 21:03:44 +01:00 |
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dft_utils_in_r
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improved pot pbe
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2019-02-11 18:39:43 +01:00 |
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dft_utils_one_e
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fixed the vxc smashed for pbe sr and normal
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2019-02-11 21:02:02 +01:00 |
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dressing
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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dummy
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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electrons
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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ezfio_files
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trying to improve sr PBE
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2019-02-11 19:38:31 +01:00 |
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fci
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Added test
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2019-02-05 22:15:29 +01:00 |
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generators_cas
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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generators_full
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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hartree_fock
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Merge branch 'develop' into develop-manus
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2019-02-21 09:33:21 +01:00 |
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iterations
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Comments in selection
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2019-02-14 23:13:23 +01:00 |
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kohn_sham
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modif TODO
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2019-02-11 15:52:49 +01:00 |
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kohn_sham_rs
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fixed the vxc smashed for pbe sr and normal
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2019-02-11 21:02:02 +01:00 |
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mo_basis
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Warnings in documentation
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2019-01-29 17:09:08 +01:00 |
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mo_guess
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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mo_one_e_ints
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Mono -> Single
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2019-02-04 23:51:09 +01:00 |
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mo_two_e_erf_ints
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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mo_two_e_ints
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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mpi
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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nuclei
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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perturbation
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Added variance_max
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2019-02-11 10:44:52 +01:00 |
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pseudo
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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psiref_cas
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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psiref_utils
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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scf_utils
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Typos
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2019-02-08 09:44:16 +01:00 |
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selectors_cassd
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Warnings in documentation
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2019-01-29 17:09:08 +01:00 |
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selectors_full
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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selectors_utils
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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single_ref_method
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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tools
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Folder -> directory
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2019-01-29 23:10:00 +01:00 |
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utils
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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zmq
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Fixed davidson ZMQ termination
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2019-02-05 18:44:03 +01:00 |
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README.rst
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Initial commit
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2019-01-25 11:39:31 +01:00 |
