update DPA4 support, add melting point calculation - #124

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Zikkying wants to merge 32 commits into

deepmodeling:devel-1.3.0from

Zikkying:devel-1.3.0

Commits on Jul 20, 2026

Add gamma_surface preview overlap checks and task-level NaN failure tolerance.

Zikkying
and
cursoragent
committed
a35b6c9

Commits on Jul 21, 2026

Add adaptive DFT k-spacing and Bohrium ticket expireIn defaults.

chenletian
and
cursoragent
committed
fa1bc36
Merge Letian88/devel-1.3.0 before pushing local apex-flow updates.
chenletian
committed
daefdd3
Fix gamma CI: accept dpdata LabeledSystem in failed-task detection.

chenletian
and
cursoragent
committed
0765d10
Merge pull request #4 from Letian88/devel-1.3.0
Zikkying
authored
e449093

Commits on Jul 23, 2026

fix(skill): correct ticket API param from expireIn(seconds) to expiration(hours)
MatMaster
committed
4ca1f64
test: align ticket URL assertion with expiration(hours) API

letian
and
cursoragent
committed
e74ee76
Merge pull request #5 from Letian88/devel-1.3.0
Zikkying
authored
cc012ab

Commits on Jul 25, 2026

fix(gamma): guard slab generation
Zikkying
committed
d55b528
feat(skill): add Gamma and VASP preflight guards
Zikkying
committed
2661c68
feat(skill): add execution-specific local profiles
Zikkying
committed
42cf9d3
fix: recognize nested dpdata task energies
Zikkying
committed
cb3e87c
feat: restore VASP finite-temperature workflows
Zikkying
committed
eb48c4d
fix(vasp): stage INCAR for finite-temperature runs
Zikkying
committed
202963a
feat(vasp): select executable from generated k-points
Zikkying
committed
0681cc0

Commits on Jul 27, 2026

fix(vasp): validate staged MD completion and preserve outputs
Zikkying
committed
2621507

Commits on Aug 13, 2026

fix(gamma): handle disordered parent-lattice slabs
Zikkying
committed
e17f16b

Commits on Aug 14, 2026

fix(vasp): align property log with backward files
Zikkying
committed
0fa5736

Commits on Aug 18, 2026

feat: add melting workflow and improve Bohrium VASP support
Zikkying
committed
5f4bece

Commits on Aug 19, 2026

feat: add OpenAPI Sandbox support and fix critical bugs
Letian88
committed
9f434f7
Merge branch 'devel-1.3.0' into devel-1.3.0
Zikkying
authored
ad53356
Merge pull request #6 from Letian88/devel-1.3.0
Zikkying
authored
d757626

Commits on Aug 21, 2026

feat: integrate validated DPA4 phonolammps runtime
Letian88
committed
679b4a1
fix: route LAMMPS CPU jobs to CPU-safe image
chenletian
committed
a294274
feat: support confirmed property profiles and image overrides
chenletian
committed
7eb1c1e
fix: emit atom maps for DeepMD LAMMPS tasks
chenletian
committed
09dc720

Commits on Aug 23, 2026

fix: retry transient LAMMPS process kills
chenletian
committed
f6f45af

Commits on Aug 26, 2026

Merge pull request #7 from Letian88/devel-1.3.0
Zikkying
authored
c3eaffe
feat: default GPU workflows to NVIDIA L20
Letian88
committed
48a3b19
Merge pull request #8 from Letian88/devel-1.3.0
Zikkying
authored
ad9018c

Commits on Aug 31, 2026

feat: add fail-closed DPA4 PT2 runtime support
Zikkying
committed
f908c77
test: run parent lattice regressions in unittest CI
Zikkying
committed
014b49f