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basis.ml
|
Added exponential of matrix
|
2020-12-17 12:55:11 +01:00 |
|
basis.mli
|
Added Hartree_Fock
|
2020-10-18 01:58:22 +02:00 |
|
class.ml
|
MP2 OK
|
2021-01-01 16:39:33 +01:00 |
|
class.mli
|
MP2 OK
|
2021-01-01 16:39:33 +01:00 |
|
dune
|
Cleaned readme for auto-generation
|
2020-12-28 12:23:39 +01:00 |
|
fock.ml
|
Added Hartree_Fock
|
2020-10-18 01:58:22 +02:00 |
|
fock.mli
|
Added Hartree_Fock
|
2020-10-18 01:58:22 +02:00 |
|
frozen_core.ml
|
MP2 OK
|
2021-01-01 16:39:33 +01:00 |
|
frozen_core.mli
|
MP2 OK
|
2021-01-01 16:39:33 +01:00 |
|
guess.ml
|
Better tests
|
2020-12-07 14:12:35 +01:00 |
|
guess.mli
|
Added Hartree_Fock
|
2020-10-18 01:58:22 +02:00 |
|
hartree_fock.ml
|
Localization
|
2021-01-30 19:07:59 +01:00 |
|
hartree_fock.mli
|
Added Hartree_Fock
|
2020-10-18 01:58:22 +02:00 |
|
localization.ml
|
Moving all MOs is not optimal
|
2021-02-03 10:47:34 +01:00 |
|
localization.mli
|
Pretty printer for localization
|
2021-02-03 09:31:11 +01:00 |
|
mo_dim.ml
|
Added Hartree_Fock
|
2020-10-18 01:58:22 +02:00 |
|
mo_dim.mli
|
Added Hartree_Fock
|
2020-10-18 01:58:22 +02:00 |
