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6a7e7fb602
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debug TDAppBSEDynamicGW
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2024-07-03 16:43:41 +02:00 |
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3950
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59789d873c
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commit RG0W0
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2023-11-27 10:02:33 +01:00 |
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05d11b3f26
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fix bug in AOtoMO transform for UHF
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2023-11-22 14:54:05 +01:00 |
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Pierre-Francois Loos
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95a3715a3f
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fix UHF
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2023-10-24 14:39:02 +02:00 |
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Antoine Marie
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c4a01b8a12
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switch back compiler
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2023-08-21 10:57:17 +02:00 |
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Antoine Marie
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ddb24ecf99
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fixing openmp bugs and some warning
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2023-08-21 10:54:33 +02:00 |
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989e0b9bd8
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remove qcaml for pyscf
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2023-07-03 14:33:48 +02:00 |
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Antoine Marie
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86e9ee3dd6
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change compiler to gfortran and read basis to be compatible with GoDuck.sh
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2023-06-30 16:56:07 +02:00 |
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Antoine Marie
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545b5fb5e2
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trying to fix diverging version
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2023-06-30 16:47:26 +02:00 |
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dc2f8b054c
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fix bug in individual energies for VWN
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2021-11-01 21:51:02 +01:00 |
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5cb83a6bbb
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Mac+Linux automatic selection
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2020-10-14 17:20:57 +02:00 |
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546ccd7833
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Fix
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2020-10-14 17:15:07 +02:00 |
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24bd5c0de9
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Error message fixed
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2020-10-14 17:13:13 +02:00 |
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3d4383d2b3
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Linux
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2020-10-14 17:09:07 +02:00 |
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7af5a35157
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bug in makefile debug
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2020-10-14 16:02:09 +02:00 |
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96254cd22d
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remove examples dir
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2020-10-14 15:07:35 +02:00 |
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bad6a5a51f
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merge eDFT in QuAcK
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2020-10-14 09:44:03 +02:00 |
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a65817ce3f
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fix make_ninja
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2020-10-14 08:31:37 +02:00 |
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5b62486bf7
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fix ninja
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2020-10-14 08:22:48 +02:00 |
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a415a301d4
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int directory
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2020-10-13 20:59:03 +02:00 |
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e05ac0a1e8
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makefile
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2020-10-13 13:49:04 +02:00 |
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a5bd9c218b
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ninja
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2020-10-13 13:44:24 +02:00 |
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