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This is caused in similar situation and similar result to #4558. But different logs.
I got this issue on executing `npm install` in Terminal tab.
My environment is same as #4558.
```
_app-0.js:1…
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Happened few times already: after a sequence like "493 (pass) 494 (C12) 495 (pass) 496 (T8) 497 (pass) 498 (B14) 499 (pass)" autogtp process just hangs, doing nothing.
Below are two full examples:
…
avysk updated
6 years ago
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We should define an app data format that will be used for describing the UI that the frontend will generate (see https://github.com/Autodesk/molecular-design-applications/issues/204).
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Add a rule to make a restriction for Master and Grand Masters in Division 3.
Rules breakers should be automatically disqualified for the match.
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Dear Sirs,
I want to use ASE calculator with QUIP's DFTB through ForceMixingPotential(). At the beginning of this try, simple energy calculator with Potential(calculator=EMT) was tested but I got a…
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Define APIs for QM/MM - need to be able to A) create minimal force field for ligand with only VDW interactions, B) insert point charges in QM calculations, C) configure the QM and MM region boundaries…
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### Quantum chemistry
| Description | Reference implementation | Status | Issues |
| -- | -- | -- | -- |
| DFT | PySCF | Done - 0.7.3 | |
| MP2 | PySCF | Done - 0.7.3 | |
| MCSCF | PySCF | Don…
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Hi Jason,
There may be a bug in ParmEd about using distance criteria mask.
Pengfei
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UTR/UTS#51 Annex B: Flags
========
- [current](http://www.unicode.org/reports/tr51/#Flags)
- [beta/proposed](http://www.unicode.org/reports/tr51/proposed.html#Flags)
- [ISO 3166-1 code elements…
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When using --prm and --rtf flags to start from paramchem parameters, the parameterization fails at the charge fitting step with the following output:
```
== Minimizing ==
Optimizer: Optimizati…