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上次成功更新 。
- 8月 05, 2019
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
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- 8月 02, 2019
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由 Franco Bonafe 创作于
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由 Micael Oliveira 创作于
Workaround for a problem with ifort 2018.1 and OpenMP. See merge request octopus-code/octopus!637
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由 Micael Oliveira 创作于
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- 8月 01, 2019
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由 Micael Oliveira 创作于
Merge branch '211-move-the-poisson-solver-to-the-system-as-we-need-to-have-one-instance-of-the-solver-per-system' into 'develop' Resolve "Move the poisson solver to the system, as we need to have one instance of the solver per system" Closes #211 See merge request octopus-code/octopus!624
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由 Micael Oliveira 创作于
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- 7月 29, 2019
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由 Micael Oliveira 创作于
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- 7月 26, 2019
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
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- 7月 25, 2019
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
Enable OpenMP in isf Poisson solver (SGFFT) to increase performance See merge request octopus-code/octopus!633
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由 Micael Oliveira 创作于
The Ewald long-range for 2D was leading to NaN for energy or forces for thick slabs. See merge request octopus-code/octopus!632
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
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- 7月 24, 2019
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由 Sebastian Ohlmann 创作于
The fft solver is already parallelized using openmp, but it has not been used since 2011. Now it is enabled and makes the OpenMP version faster.
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由 nicolastd 创作于
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- 7月 17, 2019
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由 Martin Lueders (mlu) 创作于
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由 Martin Lueders (mlu) 创作于
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由 Martin Lueders (mlu) 创作于
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由 Martin Lueders 创作于
Bugfix: td_occup with states parallelization and isolated systems See merge request octopus-code/octopus!629
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由 Martin Lueders 创作于
Hotfix unoccc output See merge request octopus-code/octopus!628
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- 7月 16, 2019
- 7月 14, 2019
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由 nicolastd 创作于
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- 7月 13, 2019
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由 Nicolas Tancogne-Dejean 创作于
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由 Nicolas Tancogne-Dejean 创作于
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由 nicolastd 创作于
In case the option TDFreezeU was used, the potential was not updated just after the restart for the correct (GS) value of the U, causing the first iteraction after the restart to used wrongly the U from the orbitals instead of the GS one.
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- 7月 06, 2019
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由 Nicolas Tancogne-Dejean 创作于
Resolve "Add an input block to define the systems to run" Closes #191 See merge request octopus-code/octopus!613
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- 7月 05, 2019
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由 Franco Bonafe 创作于
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由 Micael Oliveira 创作于
Disable multisystem test, which is producing a memory leak in the Poisson solver. This needs to be fixed before we activate the test.
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
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由 Micael Oliveira 创作于
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由 Franco Bonafe 创作于
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