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adjust example flow names #1131

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Feb 25, 2025
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b0a7005
Create high_level_overview.md
QuantumChemist Mar 1, 2024
03f2e9b
added Job and Flow makers section to the tutorial
QuantumChemist Mar 10, 2024
7578a1c
added Job and Flow makers section to the tutorial
QuantumChemist Mar 10, 2024
c03e27a
changed the style of the tutorial
QuantumChemist Mar 10, 2024
643f634
structure the text better
QuantumChemist Mar 10, 2024
eacce5d
Added todo
QuantumChemist Mar 13, 2024
f088c32
added the section for InputSet and Builder
QuantumChemist Mar 24, 2024
4b18632
added the section for InputSet and Builder
QuantumChemist Mar 24, 2024
0867247
adding job maker @job decorator explanation
QuantumChemist Mar 24, 2024
f9b56fe
Update key_concepts_overview.md
QuantumChemist Mar 24, 2024
9847615
removing unnecessary line
QuantumChemist Mar 24, 2024
528f1aa
Merge branch 'main' of https://github.com/QuantumChemist/atomate2 int…
QuantumChemist Mar 24, 2024
c0d83ae
remove unnecessary lines
QuantumChemist Mar 24, 2024
40da945
added section for taskdocs
QuantumChemist Mar 24, 2024
969086a
fixing typo
QuantumChemist Mar 24, 2024
ace71d5
Merge pull request #8 from QuantumChemist/QuantumChemist-patch-2
QuantumChemist Mar 24, 2024
622a614
fixing typo
QuantumChemist Mar 24, 2024
3d7534c
Noting some idea
QuantumChemist Mar 25, 2024
19caf72
Merge pull request #9 from QuantumChemist/QuantumChemist-patch-3
QuantumChemist Mar 25, 2024
59116cc
revised the tutorial, fixed tpos etc.
QuantumChemist Mar 29, 2024
1f873bc
minor changes
QuantumChemist Mar 29, 2024
8469e4e
minor changes
QuantumChemist Mar 29, 2024
f19d2de
Merge pull request #10 from materialsproject/main
QuantumChemist Mar 29, 2024
1b27d8a
Auto-update pre-commit hooks
QuantumChemist Apr 1, 2024
6debd10
Merge pull request #7 from QuantumChemist/update/pre-commit-hooks
QuantumChemist Apr 5, 2024
3eb3ed9
Merge branch 'main' into main
QuantumChemist May 28, 2024
2de908e
Update docs/user/key_concepts_overview.md
QuantumChemist May 28, 2024
a7773c4
Merge branch 'materialsproject:main' into main
QuantumChemist Jul 10, 2024
f3f0153
Merge branch 'main' of https://github.com/QuantumChemist/atomate2
QuantumChemist Jul 19, 2024
c8e5f47
Merge branch 'main' of github.com:QuantumChemist/atomate2
QuantumChemist Feb 24, 2025
84f9e70
fix small things
QuantumChemist Feb 24, 2025
871a4ba
fix docstring
QuantumChemist Feb 24, 2025
b9ff8b5
added example code snippets
QuantumChemist Feb 24, 2025
e0e66de
Merge branch 'main' of github.com:QuantumChemist/atomate2
QuantumChemist Feb 25, 2025
89fb9a2
fix example flow names
QuantumChemist Feb 25, 2025
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8 changes: 4 additions & 4 deletions docs/user/codes/vasp.md
Original file line number Diff line number Diff line change
Expand Up @@ -289,9 +289,9 @@ structure = Structure(
coords=[[0, 0, 0], [0.5, 0.5, 0.5]],
)

qha_flow = GruneisenMaker(kpath_scheme="seekpath", vol=0.01, mesh=(15, 15, 15)).make(
structure=structure
)
gruneisen_flow = GruneisenMaker(
kpath_scheme="seekpath", vol=0.01, mesh=(15, 15, 15)
).make(structure=structure)
```

### Quasi-harmonic Workflow
Expand Down Expand Up @@ -338,7 +338,7 @@ structure = Structure(
coords=[[0, 0, 0], [0.5, 0.5, 0.5]],
)

qha_flow = EosMaker(
eos_flow = EosMaker(
linear_strain=(-0.10, 0.10),
number_of_frames=10,
).make(structure=structure)
Expand Down
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