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Handle linear dependence in CABS projection
Lint
#3797:
Pull request
#3460
opened by
hhjhhaaa
47s
hhjhhaaa:cabs-linear-dependence
hhjhhaaa:cabs-linear-dependence
47s
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Handle linear dependence in CABS projection
CI
#4140:
Pull request
#3460
opened by
hhjhhaaa
1h 4m 27s
hhjhhaaa:cabs-linear-dependence
hhjhhaaa:cabs-linear-dependence
1h 4m 27s
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Handle linear dependence in CABS projection
CI Windows
#77:
Pull request
#3460
opened by
hhjhhaaa
1h 4m 37s
hhjhhaaa:cabs-linear-dependence
hhjhhaaa:cabs-linear-dependence
1h 4m 37s
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Fix missing orbital-rotation terms in the ROHF Hessian
Lint
#3796:
Pull request
#3448
synchronize by
wtpeter
44s
wtpeter:fix/rohf-orbital-hessian
wtpeter:fix/rohf-orbital-hessian
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Fix missing orbital-rotation terms in the ROHF Hessian
CI Windows
#76:
Pull request
#3448
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wtpeter
1h 5m 18s
wtpeter:fix/rohf-orbital-hessian
wtpeter:fix/rohf-orbital-hessian
1h 5m 18s
View #3448
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Fix missing orbital-rotation terms in the ROHF Hessian
CI
#4139:
Pull request
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wtpeter
1h 4m 43s
wtpeter:fix/rohf-orbital-hessian
wtpeter:fix/rohf-orbital-hessian
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Secondary grids for SCF response functions (#3439)
CI
#4138:
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08235bf
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sunqm
1h 59m 22s
master
master
1h 59m 22s
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Secondary grids for SCF response functions (#3439)
Lint
#3795:
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Graph Update: pip in /. #1583827160
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[FEATURE TRANSFER] Transfer the TREX-IO Module from PySCF-forge to Py…
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0790e09
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[FEATURE TRANSFER] Transfer the TREX-IO Module from PySCF-forge to Py…
Lint
#3794:
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0790e09
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43s
master
master
43s
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Update UHF failed convergence print statement to print the number of …
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#3793:
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333b6a7
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master
44s
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Update UHF failed convergence print statement to print the number of …
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#4136:
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56m 5s
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56m 5s
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Bug Fix: UHF convergence print statement updated to use total cycles completed instead of max_cycle
Lint
#3792:
Pull request
#3458
opened by
ndolin
45s
ndolin:master
ndolin:master
45s
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Bug Fix: UHF convergence print statement updated to use total cycles completed instead of max_cycle
CI Windows
#75:
Pull request
#3458
opened by
ndolin
37m 11s
ndolin:master
ndolin:master
37m 11s
View #3458
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Bug Fix: UHF convergence print statement updated to use total cycles completed instead of max_cycle
CI
#4135:
Pull request
#3458
opened by
ndolin
1h 3m 29s
ndolin:master
ndolin:master
1h 3m 29s
View #3458
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Fix missing orbital-rotation terms in the ROHF Hessian
CI Windows
#74:
Pull request
#3448
synchronize by
wtpeter
1h 2m 44s
wtpeter:fix/rohf-orbital-hessian
wtpeter:fix/rohf-orbital-hessian
1h 2m 44s
View #3448
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Fix missing orbital-rotation terms in the ROHF Hessian
CI
#4134:
Pull request
#3448
synchronize by
wtpeter
55m 26s
wtpeter:fix/rohf-orbital-hessian
wtpeter:fix/rohf-orbital-hessian
55m 26s
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Fix missing orbital-rotation terms in the ROHF Hessian
Lint
#3791:
Pull request
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43s
wtpeter:fix/rohf-orbital-hessian
wtpeter:fix/rohf-orbital-hessian
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Speed up Gamma-point PBC RCCSD (#3452)
CI
#4133:
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1h 5m 41s
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master
1h 5m 41s
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Speed up Gamma-point PBC RCCSD (#3452)
Lint
#3790:
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55b73b6
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53s
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master
53s
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Add opt-in agent recipes (#3438)
Lint
#3789:
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ec49576
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37s
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Honor INVALID_ORBITAL_ENERGY in KMP2 get_frozen_mask so the mask matc…
Lint
#3788:
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8cacce3
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43s
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Honor INVALID_ORBITAL_ENERGY in KMP2 get_frozen_mask so the mask matc…
CI
#4132:
Commit
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1h 44m 28s
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1h 44m 28s
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Recover the Monkhorst-Pack mesh in _make_rdm1_meta instead of the rcu…
CI
#4131:
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3b7e34f
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2m 26s
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2m 26s
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