v1j4y
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d24f268369
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Added test for invert. #41
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2021-10-07 14:01:40 +02:00 |
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v1j4y
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5a280e877f
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removed pointer for type variable. #41
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2021-10-06 16:49:21 +02:00 |
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v1j4y
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5746487c2e
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Fixed ordering in Doc. #32
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2021-10-04 15:46:47 +02:00 |
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v1j4y
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f3a3c8f0b1
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Improved doc for context. #32
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2021-10-04 15:43:41 +02:00 |
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v1j4y
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e425b24303
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Added context. #41
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2021-10-04 15:42:22 +02:00 |
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v1j4y
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d8dea5e855
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Fixed test. #32
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2021-10-04 09:50:16 +02:00 |
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v1j4y
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0c0f8e53d0
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Added test for MO but deactivated because slow. #32
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2021-10-04 09:08:38 +02:00 |
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v1j4y
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4df8a5e066
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Fixed bug in mo_coef dimensions.
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2021-10-01 00:23:07 +02:00 |
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v1j4y
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f557035e28
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Fixed bug in mo_dims.
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2021-09-29 18:55:02 +02:00 |
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v1j4y
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296a2886ff
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Added reading actual mo coef for testing. #32
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2021-09-29 18:12:41 +02:00 |
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v1j4y
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25bb2fd97e
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Fixed dimensions in call to DGEMM. #32
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2021-09-27 23:36:11 +02:00 |
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v1j4y
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97749325b1
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Removed TransA and TransB.
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2021-09-27 22:37:51 +02:00 |
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v1j4y
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5220df5185
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Checking ao -> mo.
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2021-09-27 22:06:49 +02:00 |
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v1j4y
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d3311ec2d9
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Testing provide mo.
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2021-09-27 22:01:13 +02:00 |
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v1j4y
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922c52c36a
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Compiles locally. #32
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2021-09-27 18:41:01 +02:00 |
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v1j4y
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5a095c490d
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Check whether MO basis has been initialized before computations. #32
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2021-09-27 18:39:45 +02:00 |
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v1j4y
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c1c5a4a8aa
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Provided function to check for MO basis. #32
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2021-09-27 18:30:59 +02:00 |
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v1j4y
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ff124cb62c
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Deactivate mo test atm.
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2021-09-27 18:20:41 +02:00 |
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v1j4y
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a055732227
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Fixed bug and working on tests for MOs. #32
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2021-09-27 18:17:21 +02:00 |
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v1j4y
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a52d6683cc
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Allow 0 beta electrons. #32
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2021-09-27 17:18:43 +02:00 |
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v1j4y
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3fa60a3009
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Implemented MOs. Needs testing. #32
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2021-09-15 18:30:41 +02:00 |
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