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1db247b27e
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n_core -> n_core_inactive
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2019-07-02 22:52:47 +02:00 |
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e69b2d6b25
|
Cleaning in bitmasks
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2019-07-02 13:13:40 +02:00 |
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e42a4d8fc5
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Minor changes
|
2019-07-01 17:20:09 +02:00 |
|
Emmanuel Giner
|
3c9728be99
|
comments
|
2019-06-29 17:34:20 +02:00 |
|
Emmanuel Giner
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57eabff675
|
added documentation for the two-rdm
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2019-06-29 17:29:32 +02:00 |
|
Emmanuel Giner
|
78fe995f55
|
getting there with active orbitals
|
2019-06-28 20:45:07 +02:00 |
|
eginer
|
de7e1f7095
|
added test for energy
|
2019-06-28 16:51:16 +02:00 |
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4445ac6c60
|
Merge branch 'casscf' of github.com:QuantumPackage/qp2 into casscf
|
2019-06-28 01:16:12 +02:00 |
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d742bdd655
|
Cleaning
|
2019-06-28 00:06:51 +02:00 |
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ae3a4929b6
|
Using fast 2RDM s
|
2019-06-27 23:59:21 +02:00 |
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|
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82bbf95fea
|
Fixed small bugs
|
2019-06-27 23:46:30 +02:00 |
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|
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92e44f53ba
|
Fixed small bugs
|
2019-06-27 23:06:35 +02:00 |
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|
|
3e38912dcb
|
indentation
|
2019-06-27 22:52:32 +02:00 |
|
Emmanuel Giner
|
9bb66d5b3a
|
added the RDMS
|
2019-06-27 18:23:28 +02:00 |
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|
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2ef517488c
|
Optimized 1rdm
|
2019-06-26 01:43:16 +02:00 |
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a128c20afa
|
CASSCF works
|
2019-06-26 00:58:17 +02:00 |
|
|
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5902f3231e
|
Cleaned neworbs
|
2019-06-26 00:23:23 +02:00 |
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|
6531181316
|
More cleaning
|
2019-06-25 19:10:50 +02:00 |
|
|
|
26be853c18
|
Cleaning
|
2019-06-25 18:53:48 +02:00 |
|
|
|
328ab2dadf
|
All programs merged. Iterations not working
|
2019-06-24 17:03:27 +02:00 |
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d29f82c080
|
CAS-CI and wdens merged
|
2019-06-24 16:42:16 +02:00 |
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33f070ab04
|
CAS-CI works
|
2019-06-24 15:37:09 +02:00 |
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|
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2f340f4841
|
CAS-CI with no vvvv
|
2019-06-24 15:32:26 +02:00 |
|
