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Electronic Structure Library
libxc
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445-numerical-stability-issues-in-b3lyp-second-derivatives
4c491053
·
The enhancement factor of gga_x_b88 is ill-behaved at small x, so use a Taylor series instead.
·
Jan 26, 2023
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nosetup
f76b58eb
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Drop setup.py which is overkill; use CMake instead for installing Python frontend.
·
Jan 16, 2023
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vdw_df-610
027ae70b
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HYB_CAM flags
·
Jan 10, 2023
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release-610
5d63dde3
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relpbe is HYB_GGA
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Jan 10, 2023
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master
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protected
e48b9ee5
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Merge branch 'drop_herman' into 'master'
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Jan 09, 2023
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hotfix-4.3.5
2b85a6ea
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Update Changelog.
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May 24, 2019
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data_hiding
4004ef06
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Make components of func_reference_type private.
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Mar 25, 2020
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cams12-2
25d020b6
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Implemented XC_HYB_GGA_X_CAM_S12G and XC_HYB_GGA_X_CAM_S12H
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Nov 10, 2020
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294-move-functional-mixing-within-the-work-routines
7c89798d
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mix_func no longer allocates any memory. Also moved some stuff to mix_init...
·
Feb 05, 2021
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cuda_improvements
738631fa
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Make the deorthogonalize code work with cuda.
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Feb 23, 2021
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