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feebc5a0e8
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Removing org-mode
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2024-02-28 10:48:09 +01:00 |
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b4211b8d85
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Working on TREXIO basis
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2023-04-24 19:31:51 +02:00 |
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2e835550b7
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Added trexio write for nuclei
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2023-04-24 14:13:36 +02:00 |
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d0f61750da
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Add Gaussian.Atomic_shell_pair
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2021-01-20 23:55:34 +01:00 |
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73a5cf6ca2
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MP2 OK
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2021-01-01 16:39:33 +01:00 |
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92c23f042f
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Added simulation
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2021-01-01 11:52:08 +01:00 |
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f45423a9ba
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Added nuclei.org
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2020-12-29 18:16:16 +01:00 |
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a4582ffb67
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Zmatrix example
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2020-12-29 02:38:12 +01:00 |
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81fdc05a5c
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Added zmatrix
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2020-12-29 02:29:43 +01:00 |
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aa40a995b2
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Cleaned examples
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2020-12-29 01:19:48 +01:00 |
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68d022987e
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Elements org
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2020-12-28 23:27:33 +01:00 |
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79f1b581f9
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Electrons org-mode
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2020-12-28 12:43:32 +01:00 |
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65d04a76f2
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Cleaned readme for auto-generation
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2020-12-28 12:23:39 +01:00 |
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6217dc5a0a
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Removed Qcaml_ prefixes
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2020-10-09 09:47:57 +02:00 |
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c1433be7f8
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Pretty printers for basis
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2020-10-08 11:42:33 +02:00 |
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58d4c2695a
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Initial new repo
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2020-09-26 12:02:53 +02:00 |
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