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See https://matsci.org/t/compositiontooxidcomposition-hangs/34383/2
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Informations de base :
- Taille des atomes (en pm) (en face de Khi)
- Indication du type des atomes (gaz, liquide, solide...) (en face des masses molaires)
Informations Secondaires (affic…
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Hi all,
I was playing around with the CO_oxidation.mkm example, trying to add user-defined species names to the setup file, but encountered errors. Following are the specific changes I made:
(1) I a…
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The issue is potentially related to issue #266.
The current definition of `_atom_type.symbol` reads:
```
The identity of the atom specie(s) representing this atom type.
Normally this code is the…
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Field type improvements
- [ ] Symbol as an enum
- [ ] Parse atomic_mass into an enum or struct
- [ ] hex_colour can be just a (u8, u8, u8).
- [ ] Parse electronic_configuration into an enum or str…
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While #384 introduced 3 prechecks for featurizers, there are many more featurizers that could benefit from a precheck. This issue can be used for tracking these featurizers
- [ ] `CationProperty…
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Currently there is one long list in the class and I started mixing up structures that are excluded because they are special test structures, due to EDA or due to errors found in some previous iteratio…
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(py37) computron-7:~ ajain$ robocrys mp-975272
Adding oxidation states...
Hg is Magnesium structured and crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consi…
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### Problem
I would like to cache the results of API calls, as documented as point 4 in https://docs.materialsproject.org/downloading-data/using-the-api/tips-for-large-downloads
When I try the cal…
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I'm trying to modify the field "orp_setpoint" in custom:pool-monitor-card
I replaced orp_setpoint with orp_setpoint_template and then I tried different syntaxes, without sucess.
```
type: custom:…