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tsconfig/all/tsconfig.json is liable to get stale, and we would like to be able to type check all without having to cd over there.
This will affect:
- [x] some developers have keybindings for th…
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United-atom types are quite popular in "data driven" force fields. For hydrocarbons the "virtual site" is located on the carbon atoms while the hydrogens are not accounted for explicitly. Hydrogens …
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Hi! I have a SELECT with a large number of UNIONs for various possible paths in the graph. Fuseki seems to be able to execute the SELECTs in parallel (but unfortunately is I/O-bound) while Virtuoso ne…
pasky updated
8 years ago
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A careful reviewer has come up with this (I'll cite my correspondence with him below).
This is related to #992 and #1041.
To summarize:
The goal here would be to find an interface which allow to writ…
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We run into performance problems / crashes when attempting to run NWX with large test data (>500 atoms). This issue is meant to track these problems as they show up and collect relevant repo-specific …
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From https://github.com/phetsims/chipper/issues/1415, we would like to investigate giving each repo its own tsconfig entry point. we believe this will help with speed and memory.
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Hello Selim,
I hope you had nice new year holidays!
I'm writing to report a possible bug, which I suspect it's preventing me from completing a parametrization for an agarose dimer. I have gener…
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**Describe the bug**
I wanted to try multihead interaface branch and trained with multihead finetuning.
But when I set calculator to a structure and execute `atoms.get_potential_energy()`, I'm ha…
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Dear developers,
I'm Experience a error:
```bash
------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: REPLICA 0 FATAL ERROR: Error in the collective variables module (see …
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Dear moltemplate developers,
I am trying to simulate Anthracene with OPLS-AA force field in LAMMPS.
To generate the data files needed I assigned the following atom types:
- 90 (Aromatic C) fo…