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Until the module procedure is **fixe**, you should clone the lammps-tutorial repository from https://github.com/materials-discovery/Lammps_tutorials.git like so:
fixe should be fixed
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It would be helpful in structuring the workshop content and deciding how best to allocate remaining time if we start mocking up how we expect the workshop to flow.
Let's start by specifying the sch…
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For any questions relating to how/why/ ... Or anything you don't know where to ask.
For bug, suggestion or anything you want to ask separately, please open [seperate issue](https://github.com/arose/n…
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Dear DP users,
i'm new to deep modeling. When i followed the CH4 case on the website, i met some problems, when the key words load_cpkt in my param.json, the dp train will stop and report undefined k…
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With this migration of OLCF docs into version control, we will be dropping the "[Software Pages](https://www.olcf.ornl.gov/for-users/software/)".
However, there is a small set of software packages…
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Hi, I am trying to compile lammps with mgp but it is not showing mgp in installed packages even after after copying mgp folder in src and trying make yes-user-mgp. Kindly help.
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The spce/lammps_ibi triggers a illegal instruction on openSUSE, I tracked it down to the actual lammps call:
```
votca@f8b3a78984e9:~/votca/build/csg-tutorials/spce/ibi_lammps/step_001> gdb --args l…
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Lately we have been getting requests to create a central place where all the SmartSim related integrations/examples can be housed.
The [tutorials](https://www.craylabs.org/docs/tutorials/01_gettin…
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There is some bug in the csg-stat reader when it comes to LAMMPS CG data files. The reader only reads bead masses if they are certain numbers. It happens when you are performing any type of ibi using …
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I think it would be interesting to have an issue where we discuss long term plans for redesigning the data structure used to store the particles within the mesh. Right now the multimap has multiples i…