Skip to content

Commit

Permalink
Rename protocol name theos to acwf (#113)
Browse files Browse the repository at this point in the history
  • Loading branch information
unkcpz authored May 17, 2022
1 parent b7d6fb1 commit 299d89c
Show file tree
Hide file tree
Showing 5 changed files with 10 additions and 10 deletions.
4 changes: 2 additions & 2 deletions aiida_sssp_workflow/protocol/bands.yml
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
---
theos:
name: theos
acwf:
name: acwf
description: Bands measure parameters

occupations: smearing
Expand Down
6 changes: 3 additions & 3 deletions aiida_sssp_workflow/protocol/converge.yml
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
---
theos:
name: theos
description: The THEOS protocol for pseudopotential veerifications, input parameters same with common workflow.
acwf:
name: acwf
description: The protocol where input parameters bring from AiiDA common workflow (ACWF).

base: # base parameters is inherit by other process
occupations: smearing
Expand Down
6 changes: 3 additions & 3 deletions aiida_sssp_workflow/protocol/delta.yml
Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
---
theos:
name: theos
description: Delta measure parameters compatible with common-workflow
acwf:
name: acwf
description: Delta measure parameters compatible with AiiDA common workflow

occupations: smearing
degauss: 0.0045
Expand Down
2 changes: 1 addition & 1 deletion docs/source/user_guide/get_started.rst
Original file line number Diff line number Diff line change
Expand Up @@ -57,7 +57,7 @@ The options of ``aiida-sssp-workflow workflow launch verification`` are::
label. [required]

-P, --protocol TEXT The protocol used in verification.
[default: theos]
[default: acwf]

-D, --dual INTEGER The dual between ecutwfc and ecutrho.
[default: 8]
Expand Down
2 changes: 1 addition & 1 deletion run_script/production.py
Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,7 @@ def run_verification(
"pw_code": pw_code,
"ph_code": ph_code,
"pseudo": upf,
"protocol": orm.Str("theos"),
"protocol": orm.Str("acwf"),
"criteria": orm.Str("efficiency"),
"cutoff_control": orm.Str("standard"),
"label": orm.Str(label),
Expand Down

0 comments on commit 299d89c

Please sign in to comment.