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**Describe the bug**
Per #337, `gamemoded` produces errors when reading `/sys/class/powercap/intel-rapl*/*/energy_uj` because it is usually run as an unprivileged user. Disabling iGPU optimization wi…
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**Describe the bug**
The bug was noticed by discontinuity in scaling convergence of total energy wrt to the lattice parameters in single layer phosphorene. For some sizes and shapes of the supercell,…
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Support for energy counters (as described in issue 27) is now implemented, but
when counter rollover is detected, the system throws an error. It would be
better to track counter rollovers, store…
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The X matrix has extremely large elements (>1e20) for some systems with PBC, likely because the A and B matrices in B = XA are rank deficient and thus X cannot be solved with numpy.linalg.solve as bel…
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Hi to all, I don't really know if this is place to ask this but I don't know where to do so. I switched from pyomo to linopy due to the sheer size of the model I was working on (energy system) and wan…
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I'm working on water loading inside zeolites with ReaxFF and fix_gcmc using the KOKKOS package (`kokkos_omp`, 1 MPI process, 32 threads) with LAMMPS (11 Apr 2017). I've used the `intra_energy` flag to…
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I've the ISO 2.1.2 and finally got my image backup running. The status says it will take about 90min.
Suddenly the display went black and I was afraid the system crashed. But it was just some kind of…
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I have tried using the energy scan for non-default targets (π⁻C and π⁻W), by commenting out the other `run_one_energy` commands in `test/energy_scan/CMakeLists.txt`. The runs and analysis work fine, b…
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### Godot version
3.5.beta (5194c612a)
### System information
Fedora 34, GeForce GTX 1080 (NVIDIA 470.74)
### Issue description
GIProbe rendering displays the sky too bright in reflections unless…
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Hi, scychon!
I come back again. After installing this plugin, I have used it in my test system.
My test system is very simple which is a short peptide in bulk water and on water/air interface. Each…