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Pull requests: deepmodeling/dpgen

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Pull requests list

feat: reuse relaxation CHGCAR for init MD
#1963 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: use remote-safe Gromacs model path
#1962 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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docs: define PWmat first-principles arguments
#1961 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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docs: define CALYPSO model deviation arguments
#1960 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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docs: define GROMACS model deviation arguments
#1959 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: select SIESTA pseudopotentials per task
#1958 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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feat: filter short-distance FP structures
#1957 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: deduplicate model deviation timesteps
#1956 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: avoid forwarding root-level VASP inputs
#1955 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: reset LAMMPS minimization timesteps
#1954 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: handle filtered interstitial tasks
#1953 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: preserve surface POSCAR input paths
#1952 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: make CH4 Lebesgue example self-contained
#1951 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: validate simplify skill templates
#1950 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: parse ABACUS binary options safely
#1949 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: store the iteration index consistently
#1948 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: delegate legacy data collection
#1947 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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chore: migrate Ruff lint configuration
#1946 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: generate MEAM and EAM-alloy commands
#1945 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: preserve property rerun filtering
#1943 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: pass interaction to gamma reproduce
#1942 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: use total atom counts for defect energies
#1941 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: select the minimum interstitial distance
#1940 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: require both property refine suffixes
#1939 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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fix: honor job-local LAMMPS time settings
#1938 opened Aug 23, 2026 by njzjz-bot Collaborator Loading…
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