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deepmodeling
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Feat: add PPCG solver for PW diagonalization (reopened)
Agent Governance
#2806:
Pull request
#8042
edited by
cheerly-pku
15s
cheerly-pku:ppcg-v2-reopen
cheerly-pku:ppcg-v2-reopen
15s
View #8042
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Feat: add PPCG solver for PW diagonalization (reopened)
GPU validation
#509:
Issue comment
#8042 (comment)
created by
cheerly-pku
2s
2s
View workflow file
Feat: add PPCG solver for PW diagonalization (reopened)
Agent Governance
#2805:
Pull request
#8042
edited by
cheerly-pku
16s
cheerly-pku:ppcg-v2-reopen
cheerly-pku:ppcg-v2-reopen
16s
View #8042
View workflow file
Fix invalid integration comparisons and reference-generation failures
GPU validation
#508:
Issue comment
#8138 (comment)
created by
mohanchen
1s
1s
View workflow file
Fix smeared-occupation Fermi convergence and particle-number accuracy
Agent Governance
#2804:
Pull request
#8130
edited by
aboys-cb
16s
aboys-cb:codex/fix-fermi-particle-number
aboys-cb:codex/fix-fermi-particle-number
16s
View #8130
View workflow file
Fix smeared-occupation Fermi convergence and particle-number accuracy
Build Test
#18893:
Pull request
#8130
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aboys-cb
8m 58s
aboys-cb:codex/fix-fermi-particle-number
aboys-cb:codex/fix-fermi-particle-number
8m 58s
View #8130
View workflow file
Fix smeared-occupation Fermi convergence and particle-number accuracy
Integration Test and Unit Test
#18403:
Pull request
#8130
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aboys-cb
27m 54s
aboys-cb:codex/fix-fermi-particle-number
aboys-cb:codex/fix-fermi-particle-number
27m 54s
View #8130
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Fix smeared-occupation Fermi convergence and particle-number accuracy
Agent Governance
#2803:
Pull request
#8130
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aboys-cb
15s
aboys-cb:codex/fix-fermi-particle-number
aboys-cb:codex/fix-fermi-particle-number
15s
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Fix smeared-occupation Fermi convergence and particle-number accuracy
Pyabacus Build and Test
#11883:
Pull request
#8130
synchronize by
aboys-cb
2m 9s
aboys-cb:codex/fix-fermi-particle-number
aboys-cb:codex/fix-fermi-particle-number
2m 9s
View #8130
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Fix smeared-occupation Fermi convergence and particle-number accuracy
Atomic Simulation Environment (ASE) Plugin Test
#3919:
Pull request
#8130
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10m 43s
aboys-cb:codex/fix-fermi-particle-number
aboys-cb:codex/fix-fermi-particle-number
10m 43s
View #8130
View workflow file
Fix smeared-occupation Fermi convergence and particle-number accuracy
CUDA Test
#11459:
Pull request
#8130
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47m 39s
aboys-cb:codex/fix-fermi-particle-number
aboys-cb:codex/fix-fermi-particle-number
47m 39s
View #8130
View workflow file
Fix smeared-occupation Fermi convergence and particle-number accuracy
Build Test
#18892:
Pull request
#8130
synchronize by
aboys-cb
20m 14s
aboys-cb:codex/fix-fermi-particle-number
aboys-cb:codex/fix-fermi-particle-number
20m 14s
View #8130
View workflow file
Use mapped-density FFT gradients for noncollinear gga_grad=2
Agent Governance
#2802:
Pull request
#8135
edited by
aboys-cb
17s
MagTheoryLab:codex/xc-mapped-density-gga2
MagTheoryLab:codex/xc-mapped-density-gga2
17s
View #8135
View workflow file
Use mapped-density FFT gradients for noncollinear gga_grad=2
Build Test
#18891:
Pull request
#8135
synchronize by
aboys-cb
21m 57s
MagTheoryLab:codex/xc-mapped-density-gga2
MagTheoryLab:codex/xc-mapped-density-gga2
21m 57s
View #8135
View workflow file
Use mapped-density FFT gradients for noncollinear gga_grad=2
Pyabacus Build and Test
#11882:
Pull request
#8135
synchronize by
aboys-cb
2m 2s
MagTheoryLab:codex/xc-mapped-density-gga2
MagTheoryLab:codex/xc-mapped-density-gga2
2m 2s
View #8135
View workflow file
Use mapped-density FFT gradients for noncollinear gga_grad=2
CUDA Test
#11458:
Pull request
#8135
synchronize by
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52m 30s
MagTheoryLab:codex/xc-mapped-density-gga2
MagTheoryLab:codex/xc-mapped-density-gga2
52m 30s
View #8135
View workflow file
Use mapped-density FFT gradients for noncollinear gga_grad=2
Atomic Simulation Environment (ASE) Plugin Test
#3918:
Pull request
#8135
synchronize by
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12m 53s
MagTheoryLab:codex/xc-mapped-density-gga2
MagTheoryLab:codex/xc-mapped-density-gga2
12m 53s
View #8135
View workflow file
Use mapped-density FFT gradients for noncollinear gga_grad=2
Build Test
#18892:
Pull request
#8135
synchronize by
aboys-cb
8m 58s
MagTheoryLab:codex/xc-mapped-density-gga2
MagTheoryLab:codex/xc-mapped-density-gga2
8m 58s
View #8135
View workflow file
Use mapped-density FFT gradients for noncollinear gga_grad=2
Integration Test and Unit Test
#18402:
Pull request
#8135
synchronize by
aboys-cb
47m 47s
MagTheoryLab:codex/xc-mapped-density-gga2
MagTheoryLab:codex/xc-mapped-density-gga2
47m 47s
View #8135
View workflow file
Use mapped-density FFT gradients for noncollinear gga_grad=2
Agent Governance
#2801:
Pull request
#8135
synchronize by
aboys-cb
17s
MagTheoryLab:codex/xc-mapped-density-gga2
MagTheoryLab:codex/xc-mapped-density-gga2
17s
View #8135
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
CUDA Test
#11457:
Pull request
#8069
synchronize by
maki49
1h 4m 43s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
1h 4m 43s
View #8069
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Build Test
#18890:
Pull request
#8069
synchronize by
maki49
22m 44s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
22m 44s
View #8069
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Build Test
#18891:
Pull request
#8069
synchronize by
maki49
9m 22s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
9m 22s
View #8069
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Atomic Simulation Environment (ASE) Plugin Test
#3917:
Pull request
#8069
synchronize by
maki49
13m 32s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
13m 32s
View #8069
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Agent Governance
#2800:
Pull request
#8069
synchronize by
maki49
18s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
18s
View #8069
View workflow file
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