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c1a53f40e8
|
Added MatrixOnBasis
|
2018-06-13 19:03:42 +02:00 |
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|
|
5ed5d91a9d
|
Introduced shell pair couples
|
2018-03-21 17:28:13 +01:00 |
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|
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0da6453453
|
Cleaning
|
2018-03-20 15:16:24 +01:00 |
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|
5d73ec5144
|
ContractedAtomicShell
|
2018-03-20 14:11:31 +01:00 |
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|
7cccb60549
|
ShellPair option
|
2018-03-15 19:35:10 +01:00 |
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|
03c5d1d64a
|
Introduced PrimitiveShellPair
|
2018-03-15 18:31:58 +01:00 |
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|
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c3287c6368
|
Cleaning ContractedShellPair
|
2018-03-14 14:39:22 +01:00 |
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|
786b680f40
|
ContractedShell has now a hidden type
|
2018-03-13 18:56:28 +01:00 |
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|
|
e54a5e034a
|
Hash table for zkey_array
|
2018-03-13 18:24:00 +01:00 |
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47a85dec71
|
CLeaning Zkey
|
2018-02-25 01:40:12 +01:00 |
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|
24d2eb7e47
|
Documentation
|
2018-02-25 00:53:09 +01:00 |
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|
8918f49302
|
Documentation
|
2018-02-24 23:57:38 +01:00 |
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|
e1da54cd67
|
Working on documenation
|
2018-02-23 18:41:30 +01:00 |
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|
|
d7d018b3ea
|
Cleaning
|
2018-02-23 16:40:35 +01:00 |
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|
|
5fd94119f6
|
Working on HF
|
2018-02-21 17:06:24 +01:00 |
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|
34edda6317
|
Working {x;y;z;tot}
|
2018-02-19 17:32:44 +01:00 |
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|
|
ade45cd49d
|
A lot of cleaning
|
2018-02-13 17:36:25 +01:00 |
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|
|
365735d111
|
Working on contraction
|
2018-02-09 20:18:53 +01:00 |
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|
730f6a9e3f
|
Introduces Simulation
|
2018-02-09 00:37:25 +01:00 |
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|
eeb4f9f52c
|
Introducing contracted shell pairs
|
2018-02-07 17:07:05 +01:00 |
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|
|
5b4d49773d
|
Documentation
|
2018-02-06 18:12:19 +01:00 |
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|
|
8b1b260c90
|
All one- and two- electron integrals OK
|
2018-02-06 17:39:14 +01:00 |
|
