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Hi,
We have installed CFDEMcoupling/3.8.0-foss-2019b based on https://github.com/easybuilders/easybuild-easyconfigs/pull/16159 (appreciate the PR hasn't been merged yet but it does what we need it …
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Hi,
I was trying to run the tutorial (make_crack_1.py), however due to some change in library structure there are a lot of import errors. Can you update the tutorial code for the correct libraries?…
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In GitLab by @RandomDefaultUser on Dec 17, 2020, 09:44
* Enable GPU support
* Add LAMMPS/QE installation to the yaml file, so that we can test the total energy module and SNAP descriptor creation as …
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Hi, I'm new to MDANSE. I'm running your example project. After I cloned your project, setup virtual env for python using `python3 -m venv mdanse` and `source mdanse/bin/activate`, also install `mdanse…
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Currently the Tutorials section of the documentation only contains the ASE tutorials. A good first step to improving this section would be to include all the current tutorials.
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Hello friends,
**I have been able to follow some of the tutorials given in this page.
And i must say it has been very helpful. I now tried to create an input file for ch4 adsorption inside zeolite…
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When I compiled following the tutorial using the v100 machine.
```
cd lammps
mkdir build-ampere
cd build-ampere
cmake \
-D CMAKE_BUILD_TYPE=Release \
-D CMAKE_INSTALL_PREFIX=$(pwd) \
…
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Hi folks,
I wanted your help on seeing what is going wrong in .yace file that was created during the training process.
I use the following set of lines for my lammps calc:
```
pair_style hy…
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[1_traj_prepair_mstis.zip](https://github.com/openpathsampling/openpathsampling/files/9158803/1_traj_prepair_mstis.zip)
When I run ops with the trajectory file I generated, an error occurs at equilib…
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@crtrott @srajama1
During the Aug-18 stand-up we discussed the possibility of moving some containers from one repo to another. Below are the two containers previously discussed, if others should be …
lucbv updated
3 years ago