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deepmodeling
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fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap
Agent Governance
#2849:
Pull request
#8145
edited by
memii-x
21s
memii-x:codex/upstream-rt-endpoint-metric-20261014
memii-x:codex/upstream-rt-endpoint-metric-20261014
21s
View #8145
View workflow file
fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap
Build Test
#18925:
Pull request
#8145
synchronize by
memii-x
In progress
memii-x:codex/upstream-rt-endpoint-metric-20261014
memii-x:codex/upstream-rt-endpoint-metric-20261014
In progress
View #8145
View workflow file
fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap
Build Test
#18924:
Pull request
#8145
synchronize by
memii-x
In progress
memii-x:codex/upstream-rt-endpoint-metric-20261014
memii-x:codex/upstream-rt-endpoint-metric-20261014
In progress
View #8145
View workflow file
fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap
Integration Test and Unit Test
#18435:
Pull request
#8145
synchronize by
memii-x
In progress
memii-x:codex/upstream-rt-endpoint-metric-20261014
memii-x:codex/upstream-rt-endpoint-metric-20261014
In progress
View #8145
View workflow file
fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap
Pyabacus Build and Test
#11910:
Pull request
#8145
synchronize by
memii-x
2m 26s
memii-x:codex/upstream-rt-endpoint-metric-20261014
memii-x:codex/upstream-rt-endpoint-metric-20261014
2m 26s
View #8145
View workflow file
fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap
Agent Governance
#2848:
Pull request
#8145
synchronize by
memii-x
16s
memii-x:codex/upstream-rt-endpoint-metric-20261014
memii-x:codex/upstream-rt-endpoint-metric-20261014
16s
View #8145
View workflow file
fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap
Atomic Simulation Environment (ASE) Plugin Test
#3946:
Pull request
#8145
synchronize by
memii-x
In progress
memii-x:codex/upstream-rt-endpoint-metric-20261014
memii-x:codex/upstream-rt-endpoint-metric-20261014
In progress
View #8145
View workflow file
fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap
CUDA Test
#11491:
Pull request
#8145
synchronize by
memii-x
In progress
memii-x:codex/upstream-rt-endpoint-metric-20261014
memii-x:codex/upstream-rt-endpoint-metric-20261014
In progress
View #8145
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Pyabacus Build and Test
#11909:
Pull request
#8069
synchronize by
maki49
2m 17s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
2m 17s
View #8069
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Build Test
#18924:
Pull request
#8069
synchronize by
maki49
7m 28s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
7m 28s
View #8069
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Integration Test and Unit Test
#18434:
Pull request
#8069
synchronize by
maki49
In progress
maki49:LR-Grad-relax
maki49:LR-Grad-relax
In progress
View #8069
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Build Test
#18923:
Pull request
#8069
synchronize by
maki49
In progress
maki49:LR-Grad-relax
maki49:LR-Grad-relax
In progress
View #8069
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
Agent Governance
#2847:
Pull request
#8069
synchronize by
maki49
17s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
17s
View #8069
View workflow file
Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation
CUDA Test
#11490:
Pull request
#8069
synchronize by
maki49
In progress
maki49:LR-Grad-relax
maki49:LR-Grad-relax
In progress
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
#3945:
Pull request
#8069
synchronize by
maki49
13m 39s
maki49:LR-Grad-relax
maki49:LR-Grad-relax
13m 39s
View #8069
View workflow file
Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS
Agent Governance
#2846:
Pull request
#8144
synchronize by
DanielZhao0432
19s
DanielZhao0432:261013-fix-dos-pdos-issues
DanielZhao0432:261013-fix-dos-pdos-issues
19s
View #8144
View workflow file
Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS
Build Test
#18922:
Pull request
#8144
synchronize by
DanielZhao0432
18m 36s
DanielZhao0432:261013-fix-dos-pdos-issues
DanielZhao0432:261013-fix-dos-pdos-issues
18m 36s
View #8144
View workflow file
Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS
Atomic Simulation Environment (ASE) Plugin Test
#3944:
Pull request
#8144
synchronize by
DanielZhao0432
10m 49s
DanielZhao0432:261013-fix-dos-pdos-issues
DanielZhao0432:261013-fix-dos-pdos-issues
10m 49s
View #8144
View workflow file
Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS
Pyabacus Build and Test
#11908:
Pull request
#8144
synchronize by
DanielZhao0432
2m 27s
DanielZhao0432:261013-fix-dos-pdos-issues
DanielZhao0432:261013-fix-dos-pdos-issues
2m 27s
View #8144
View workflow file
Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS
Integration Test and Unit Test
#18433:
Pull request
#8144
synchronize by
DanielZhao0432
15m 52s
DanielZhao0432:261013-fix-dos-pdos-issues
DanielZhao0432:261013-fix-dos-pdos-issues
15m 52s
View #8144
View workflow file
Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS
Build Test
#18923:
Pull request
#8144
synchronize by
DanielZhao0432
8m 37s
DanielZhao0432:261013-fix-dos-pdos-issues
DanielZhao0432:261013-fix-dos-pdos-issues
8m 37s
View #8144
View workflow file
Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS
CUDA Test
#11489:
Pull request
#8144
synchronize by
DanielZhao0432
19m 8s
DanielZhao0432:261013-fix-dos-pdos-issues
DanielZhao0432:261013-fix-dos-pdos-issues
19m 8s
View #8144
View workflow file
Fix TDOS/PDOS energy grid misalignment, unify DOS output file naming, and improve plot-tools TDOS
GPU validation
#533:
Issue comment
#8144 (comment)
created by
DanielZhao0432
1s
1s
View workflow file
fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap
Pyabacus Build and Test
#11907:
Pull request
#8145
opened by
memii-x
2m 8s
memii-x:codex/upstream-rt-endpoint-metric-20261014
memii-x:codex/upstream-rt-endpoint-metric-20261014
2m 8s
View #8145
View workflow file
fix(rt): normalize LCAO wavefunctions with arrival-endpoint overlap
Build Test
#18922:
Pull request
#8145
opened by
memii-x
9m 50s
memii-x:codex/upstream-rt-endpoint-metric-20261014
memii-x:codex/upstream-rt-endpoint-metric-20261014
9m 50s
View #8145
View workflow file
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