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Fix occ cornor case Lint #1436: Commit 217e030 pushed by sunqm
51s pbc-occ-check
pbc-occ-check
51s
Fix occ cornor case CI #1517: Commit 217e030 pushed by sunqm
9m 5s pbc-occ-check
pbc-occ-check
9m 5s
Add PBC-ECP-soc integrals Lint #1435: Commit 4f075db pushed by sunqm
48s pbc-ecp-soc
pbc-ecp-soc
48s
Add PBC-ECP-soc integrals CI #1516: Commit 4f075db pushed by sunqm
2h 25m 22s pbc-ecp-soc
pbc-ecp-soc
2h 25m 22s
PBC-ECP-soc integrals Lint #1434: Commit 238c4e2 pushed by sunqm
47s pbc-ecp-soc
pbc-ecp-soc
47s
PBC-ECP-soc integrals CI #1515: Commit 238c4e2 pushed by sunqm
2h 22m 26s pbc-ecp-soc
pbc-ecp-soc
2h 22m 26s
Merge branch 'smd-to_gpu' into to_gpu-from_cpu Lint #1433: Commit d88ee8f pushed by sunqm
51s to_gpu-from_cpu
to_gpu-from_cpu
51s
Merge branch 'smd-to_gpu' into to_gpu-from_cpu CI #1514: Commit d88ee8f pushed by sunqm
2h 18m 1s to_gpu-from_cpu
to_gpu-from_cpu
2h 18m 1s
Some keys from df.hessian modules are not converted in the to_gpu and… CI #1513: Commit fed3998 pushed by sunqm
2h 22m 36s smd-to_gpu
smd-to_gpu
2h 22m 36s
Some keys from df.hessian modules are not converted in the to_gpu and… Lint #1432: Commit fed3998 pushed by sunqm
49s smd-to_gpu
smd-to_gpu
49s
handle the reset call in to_gpu method Lint #1431: Commit 1abbd98 pushed by sunqm
53s to_gpu-from_cpu
to_gpu-from_cpu
53s
handle the reset call in to_gpu method CI #1512: Commit 1abbd98 pushed by sunqm
2h 22m 48s to_gpu-from_cpu
to_gpu-from_cpu
2h 22m 48s
improve to_gpu CI #1511: Commit f441acb pushed by sunqm
2h 21m 45s to_gpu-from_cpu
to_gpu-from_cpu
2h 21m 45s
improve to_gpu Lint #1430: Commit f441acb pushed by sunqm
50s to_gpu-from_cpu
to_gpu-from_cpu
50s
Fix to_gpu bug in PCM and SMD Hessian CI #1510: Commit 438083f pushed by sunqm
2h 14m 40s smd-to_gpu
smd-to_gpu
2h 14m 40s
Fix to_gpu bug in PCM and SMD Hessian Lint #1429: Commit 438083f pushed by sunqm
51s smd-to_gpu
smd-to_gpu
51s
Add an interface to gpu4pyscf CI #1509: Commit 59beb0f pushed by sunqm
2h 21m 33s to_gpu-from_cpu
to_gpu-from_cpu
2h 21m 33s
Add an interface to gpu4pyscf Lint #1428: Commit 59beb0f pushed by sunqm
49s to_gpu-from_cpu
to_gpu-from_cpu
49s
New API "from_cpu" on gpu4pyscf Lint #1427: Commit d644dd4 pushed by sunqm
54s to_gpu-from_cpu
to_gpu-from_cpu
54s
New API "from_cpu" on gpu4pyscf CI #1508: Commit d644dd4 pushed by sunqm
2h 23m 7s to_gpu-from_cpu
to_gpu-from_cpu
2h 23m 7s
Incorrect nuclear energy contribution for RSJK method Lint #1426: Commit 912ffaa pushed by sunqm
49s rsjk-0d-bug
rsjk-0d-bug
49s
Incorrect nuclear energy contribution for RSJK method CI #1507: Commit 912ffaa pushed by sunqm
2h 23m 53s rsjk-0d-bug
rsjk-0d-bug
2h 23m 53s
Fix KRHF gradients when exxdiv='ewald' CI #1506: Commit d45b470 pushed by sunqm
2h 18m 24s 2877
2877
2h 18m 24s
Fix KRHF gradients when exxdiv='ewald' Lint #1425: Commit d45b470 pushed by sunqm
54s 2877
2877
54s
Add more checks CI #1505: Commit 24208f4 pushed by sunqm
7m 23s pbc-occ-check
pbc-occ-check
7m 23s