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9b114f17e5
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Frozen core in mpn
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2021-01-04 22:14:55 +01:00 |
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eed703afa9
|
Added entropy
|
2020-12-23 00:29:55 +01:00 |
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04c75ab70c
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Fixed basis bug
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2020-09-24 10:07:25 +02:00 |
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101012938f
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Removed H matrix elements in champ
|
2020-08-26 10:53:46 +02:00 |
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164bf79053
|
Fixed Python3
|
2020-05-13 00:54:02 +02:00 |
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1568f6cd20
|
Python3
|
2020-05-13 00:10:32 +02:00 |
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aacc3057c8
|
Added export_integrals
|
2020-03-23 17:34:43 +01:00 |
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80a3ecdda0
|
Added class.irp.f
|
2019-10-01 13:02:52 +02:00 |
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baa350efb1
|
General CCSD
|
2019-09-11 17:09:30 +02:00 |
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217a828b15
|
Single-ref amplitudes OK
|
2019-09-10 17:09:01 +02:00 |
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c4b7fda051
|
Created amplitudes module
|
2019-09-10 16:35:14 +02:00 |
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6778974ae5
|
Guess amplitudes OK
|
2019-09-10 13:35:20 +02:00 |
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aee13ced42
|
Working on CC
|
2019-09-09 17:48:01 +02:00 |
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|
ab8ff0c2ba
|
Extract CC amplitudes
|
2019-09-09 15:08:43 +02:00 |
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ce2f6f4a67
|
Accelerated
|
2019-06-18 11:15:17 +02:00 |
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604b88e2da
|
Compute the H elements for QMC
|
2019-06-17 19:20:38 +02:00 |
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|
6dfb4d3d00
|
Added overwrite_with_cas
|
2019-05-28 09:20:40 +02:00 |
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|
39250742fd
|
Added 2RDM plugin
|
2019-05-15 09:43:03 +02:00 |
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|
9f58127726
|
Added truncate-nonzero
|
2019-05-13 14:07:52 +02:00 |
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|
0d8250e686
|
Added truncate_wf
|
2019-04-25 13:58:35 +02:00 |
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|
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d1c428ee1f
|
Add mp2
|
2019-04-08 10:20:00 +02:00 |
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|
|
f02e90120a
|
Add variance
|
2019-04-08 10:13:10 +02:00 |
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|
|
dada661eec
|
Added DDCI possibility
|
2019-01-23 20:19:19 +01:00 |
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|
461e86d46e
|
Added CASSD
|
2019-01-23 18:25:02 +01:00 |
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|
|
e0b4a1f42f
|
champ module
|
2019-01-23 17:42:42 +01:00 |
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