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fix multigrid dft gradient for no pseudo potential Lint #2753: Pull request #2883 synchronize by sunqm
45s fishjojo:pbc_grad
fishjojo:pbc_grad
45s
make CASCI flags consistent with CASSCF Lint #2752: Pull request #2887 opened by jeanwsr
45s jeanwsr:casci-flags
jeanwsr:casci-flags
45s
make CASCI flags consistent with CASSCF CI #3096: Pull request #2887 opened by jeanwsr
1h 29m 54s jeanwsr:casci-flags
jeanwsr:casci-flags
1h 29m 54s
use atom_pure_symbol for geometric elem (#2885) CI #3095: Commit b6b43c7 pushed by sunqm
1h 30m 15s master
master
1h 30m 15s
use atom_pure_symbol for geometric elem (#2885) Lint #2751: Commit b6b43c7 pushed by sunqm
46s master
master
46s
Add frozen orbital support for tdscf Lint #2750: Pull request #2886 opened by tberkel
48s tberkel:td_frozen
tberkel:td_frozen
48s
Add frozen orbital support for tdscf CI #3094: Pull request #2886 opened by tberkel
1h 30m 10s tberkel:td_frozen
tberkel:td_frozen
1h 30m 10s
Add an example for #2805 (#2825) Lint #2749: Commit 265b98b pushed by sunqm
48s master
master
48s
Add an example for #2805 (#2825) CI #3093: Commit 265b98b pushed by sunqm
1h 30m 8s master
master
1h 30m 8s
Copy ECPs to ma-def2-xzvp sets (#2873) CI #3092: Commit a2c0c79 pushed by sunqm
1h 30m 53s master
master
1h 30m 53s
Copy ECPs to ma-def2-xzvp sets (#2873) Lint #2748: Commit a2c0c79 pushed by sunqm
46s master
master
46s
Coerce numpy.int64 value to int where necessary (#2884) Lint #2747: Commit 5173902 pushed by sunqm
47s master
master
47s
Coerce numpy.int64 value to int where necessary (#2884) CI #3091: Commit 5173902 pushed by sunqm
1h 31m 32s master
master
1h 31m 32s
DFT+U for molecules (#2835) CI #3090: Commit 7afe116 pushed by sunqm
1h 31m 27s master
master
1h 31m 27s
DFT+U for molecules (#2835) Lint #2746: Commit 7afe116 pushed by sunqm
46s master
master
46s
fix multigrid dft gradient for no pseudo potential CI #3089: Pull request #2883 synchronize by fishjojo
1h 28m 40s fishjojo:pbc_grad
fishjojo:pbc_grad
1h 28m 40s
fix multigrid dft gradient for no pseudo potential Lint #2745: Pull request #2883 synchronize by fishjojo
46s fishjojo:pbc_grad
fishjojo:pbc_grad
46s
fix multigrid dft gradient for no pseudo potential CI #3088: Pull request #2883 synchronize by sunqm
1h 29m 2s fishjojo:pbc_grad
fishjojo:pbc_grad
1h 29m 2s
fix multigrid dft gradient for no pseudo potential Lint #2744: Pull request #2883 synchronize by sunqm
56s fishjojo:pbc_grad
fishjojo:pbc_grad
56s
Coerce numpy.int64 value to int where necessary Lint #2743: Pull request #2884 synchronize by sunqm
46s applePrincess:coerce-numpy-int
applePrincess:coerce-numpy-int
46s
Coerce numpy.int64 value to int where necessary CI #3087: Pull request #2884 synchronize by sunqm
1h 28m 56s applePrincess:coerce-numpy-int
applePrincess:coerce-numpy-int
1h 28m 56s
Fix: use atom_pure_symbol for geometric elem CI #3086: Pull request #2885 opened by jeanwsr
1h 29m 2s jeanwsr:geom-symbol
jeanwsr:geom-symbol
1h 29m 2s
Fix: use atom_pure_symbol for geometric elem Lint #2742: Pull request #2885 opened by jeanwsr
49s jeanwsr:geom-symbol
jeanwsr:geom-symbol
49s
fix multigrid dft gradient for no pseudo potential Lint #2740: Pull request #2883 synchronize by fishjojo
52s fishjojo:pbc_grad
fishjojo:pbc_grad
52s
fix multigrid dft gradient for no pseudo potential CI #3084: Pull request #2883 synchronize by fishjojo
1h 29m 58s fishjojo:pbc_grad
fishjojo:pbc_grad
1h 29m 58s
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