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I was trying to build libsystrap as part of liballocs. I installed all the packages per liballocs README. However, I got some build errors, so I'm trying to isolate them one by one.
Steps:
```
gi…
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TODO comments from `mbuild/lib/surfaces/amorphous_silica_surface.py`
```
11- if surface_roughness == 1.0:
12: # TODO: description of how this surface was generated/citation
13- …
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This will be a feature in mbuild. Essentially, provide original pointer tables as well as instructions for determining data length. The app will dynamically allocate space in the rom based on explicit…
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I don't think GitHub has the concept of a pinned issue, but I want to have a master tracker of the status of support for various file formats.
Extension | Engine | Typed or Un-typed? | Internal rea…
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TODO comments from `mbuild/coarse_graining.py`
```
179-def _create_proxy_labels(real_thing, memo):
180- if not is_leaf(real_thing):
181- for label, part in real_thing.labels.items():
18…
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@rsdefever
I'm continuing my quest to develop some robust workflows for GOMC and found some strange behavior when loading gaff.xml and using it to assign parameters. The parameter file that is pr…
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On Microsoft Windows with VC 11.0, **msvs.py** assumes **cl.exe** is in the following directory:
*C:\Program Files (x86)\Microsoft Visual Studio 11.0\VC\bin\amd64*
However, things changed on VC …
huku- updated
7 years ago
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TODO comments from `mbuild/compound.py`
```
986: # TODO: Fix this for non-orthogonal boxes
987- # Make sure the box is bigger than the bounding box
988- if box is not None:
9…
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I wrote this weeks ago and accidentally deserted it in a tab, but I think it's still a relevant question:
For starters, I am assuming that some packages (more or less `gsd`, `simtk`, `mbuild`, and`…
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We need better tutorials to help people building a force field from scratch. I'm imagining the following progression:
1. Force field for a simple system of `A` particles. The only interactions are …