Commit 8707afa
authored
Ams mapping parser (#12)
* Revisions from review
* Add initial fhiaims parser
* Initial workflow parser classes
* Refactor
* Use workflow defs
* Parse workflow
* Parse workflow
* Add phononpy
* Add wannier90 parser
* Initial quantum espresso parser
* Linting fix
* Initial ams parser
* Linting
* Add ams test
* Fix structlog error1 parent e56778b commit 8707afa
File tree
10 files changed
+3503
-2
lines changed- src/nomad_simulation_parsers
- parsers
- ams
- schema_packages
- tests
- data/ams/scf
- parsers
10 files changed
+3503
-2
lines changed| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
124 | 124 | | |
125 | 125 | | |
126 | 126 | | |
| 127 | + | |
| 128 | + | |
127 | 129 | | |
128 | 130 | | |
129 | 131 | | |
| |||
| Original file line number | Diff line number | Diff line change | |
|---|---|---|---|
| |||
30 | 30 | | |
31 | 31 | | |
32 | 32 | | |
33 | | - | |
| 33 | + | |
34 | 34 | | |
35 | 35 | | |
36 | 36 | | |
37 | 37 | | |
| 38 | + | |
| 39 | + | |
| 40 | + | |
| 41 | + | |
| 42 | + | |
| 43 | + | |
| 44 | + | |
| 45 | + | |
| 46 | + | |
| 47 | + | |
| 48 | + | |
38 | 49 | | |
39 | 50 | | |
40 | 51 | | |
| |||
53 | 64 | | |
54 | 65 | | |
55 | 66 | | |
56 | | - | |
| 67 | + | |
57 | 68 | | |
58 | 69 | | |
59 | 70 | | |
| |||
0 commit comments