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Feature: build-in DFTD3 parameters with fall-back parameter search strategy
Pyabacus Build and Test #4012: Pull request #5378 synchronize by kirk0830
November 1, 2024 10:52 40m 22s kirk0830:extended-dftd3
November 1, 2024 10:52 40m 22s
Feature: build-in DFTD3 parameters with fall-back parameter search strategy
Integration Test and Unit Test #10396: Pull request #5378 synchronize by kirk0830
November 1, 2024 10:52 1h 39m 40s kirk0830:extended-dftd3
November 1, 2024 10:52 1h 39m 40s
Fix: disable four rarely used functionals which involves the laplacian of rho
Integration Test and Unit Test #10395: Pull request #5392 opened by kirk0830
November 1, 2024 10:18 1h 37m 47s kirk0830:off-mgga-lapl
November 1, 2024 10:18 1h 37m 47s
Fix: disable four rarely used functionals which involves the laplacian of rho
Pyabacus Build and Test #4011: Pull request #5392 opened by kirk0830
November 1, 2024 10:18 17m 32s kirk0830:off-mgga-lapl
November 1, 2024 10:18 17m 32s
Fix: disable the XC in LibXC in which nonlocal dispersion correction is required
Integration Test and Unit Test #10394: Pull request #5391 opened by kirk0830
November 1, 2024 09:40 1h 39m 45s kirk0830:off-nloc-vdw-xc
November 1, 2024 09:40 1h 39m 45s
Fix: disable the XC in LibXC in which nonlocal dispersion correction is required
Pyabacus Build and Test #4010: Pull request #5391 opened by kirk0830
November 1, 2024 09:40 40m 43s kirk0830:off-nloc-vdw-xc
November 1, 2024 09:40 40m 43s
Feature: change the default value of ecutwfc based on basis_type
Integration Test and Unit Test #10393: Pull request #5390 opened by WHUweiqingzhou
November 1, 2024 08:31 2h 12m 14s WHUweiqingzhou:ecut
November 1, 2024 08:31 2h 12m 14s
Feature: change the default value of ecutwfc based on basis_type
Build Test #9141: Pull request #5390 opened by WHUweiqingzhou
November 1, 2024 08:31 47m 25s WHUweiqingzhou:ecut
November 1, 2024 08:31 47m 25s
Feature: change the default value of ecutwfc based on basis_type
Build Test #9140: Pull request #5390 opened by WHUweiqingzhou
November 1, 2024 08:31 1h 57m 50s WHUweiqingzhou:ecut
November 1, 2024 08:31 1h 57m 50s
Feature: change the default value of ecutwfc based on basis_type
Pyabacus Build and Test #4009: Pull request #5390 opened by WHUweiqingzhou
November 1, 2024 08:31 44m 42s WHUweiqingzhou:ecut
November 1, 2024 08:31 44m 42s
add RDMFT(Reduced Density Matrix Functional Theory) code
Integration Test and Unit Test #10392: Pull request #5325 synchronize by mohanchen
November 1, 2024 08:24 1h 33m 12s JGHan7:rdmft_PR
November 1, 2024 08:24 1h 33m 12s
add RDMFT(Reduced Density Matrix Functional Theory) code
Build Test #9139: Pull request #5325 synchronize by mohanchen
November 1, 2024 08:24 49m 28s JGHan7:rdmft_PR
November 1, 2024 08:24 49m 28s
add RDMFT(Reduced Density Matrix Functional Theory) code
Pyabacus Build and Test #4008: Pull request #5325 synchronize by mohanchen
November 1, 2024 08:24 23m 34s JGHan7:rdmft_PR
November 1, 2024 08:24 23m 34s
add RDMFT(Reduced Density Matrix Functional Theory) code
Build Test #9140: Pull request #5325 synchronize by mohanchen
November 1, 2024 08:24 27m 54s JGHan7:rdmft_PR
November 1, 2024 08:24 27m 54s
add RDMFT(Reduced Density Matrix Functional Theory) code
CUDA Test #3458: Pull request #5325 synchronize by mohanchen
November 1, 2024 08:24 14m 57s JGHan7:rdmft_PR
November 1, 2024 08:24 14m 57s