atomate
| Topic | Replies | Views | Activity | |
|---|---|---|---|---|
| Passing structure object from Firework to atomate2 flow |
|
0 | 149 | October 25, 2023 |
| Querying Elasticity Data by Firework ID |
|
2 | 218 | August 2, 2023 |
| Discussion: Workflow and data provenance for atomistic simulations |
|
5 | 603 | October 25, 2022 |
| POTCAR setup issues |
|
1 | 580 | August 23, 2022 |
| Unknown Potcar Warning |
|
6 | 696 | January 4, 2022 |
| How do you guys pick the VASP settings for your dielectric calcs? |
|
0 | 541 | August 29, 2021 |