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Update ASE interface to support lattice relaxation (#2935) Lint #2923: Commit 8eee7d1 pushed by sunqm
4m 17s master
master
4m 17s
Stress tensor (#2934) Lint #2922: Commit 9a9ac8e pushed by sunqm
4m 55s master
master
4m 55s
Stress tensor (#2934) CI #3266: Commit 9a9ac8e pushed by sunqm
2h 22m 27s master
master
2h 22m 27s
Adjust analyze() functions for UHF and ROHF to be compatible with msym CI #3265: Pull request #3014 opened by bogdanoff
2h 13m 58s bogdanoff:msym_traces
bogdanoff:msym_traces
2h 13m 58s
Adjust analyze() functions for UHF and ROHF to be compatible with msym Lint #2921: Pull request #3014 opened by bogdanoff
54s bogdanoff:msym_traces
bogdanoff:msym_traces
54s
add m06-hf Lint #2920: Commit e4da0ea pushed by sunqm
55s master
master
55s
add m06-hf CI #3264: Commit e4da0ea pushed by sunqm
2h 19m 27s master
master
2h 19m 27s
add m06-hf Lint #2919: Pull request #3012 opened by jeanwsr
48s jeanwsr:m06hf
jeanwsr:m06hf
48s
add m06-hf CI #3263: Pull request #3012 opened by jeanwsr
2h 30m 48s jeanwsr:m06hf
jeanwsr:m06hf
2h 30m 48s
Velocity gauge integrals and oscillator strengths for TDSCF using GTH basis sets Lint #2918: Pull request #3007 synchronize by chillenb
49s chillenb:velgauge-pr
chillenb:velgauge-pr
49s
Velocity gauge integrals and oscillator strengths for TDSCF using GTH basis sets CI #3262: Pull request #3007 synchronize by chillenb
2h 19m 37s chillenb:velgauge-pr
chillenb:velgauge-pr
2h 19m 37s
Velocity gauge integrals and oscillator strengths for TDSCF using GTH basis sets CI #3261: Pull request #3007 synchronize by chillenb
2h 18m 19s chillenb:velgauge-pr
chillenb:velgauge-pr
2h 18m 19s
Velocity gauge integrals and oscillator strengths for TDSCF using GTH basis sets Lint #2917: Pull request #3007 synchronize by chillenb
50s chillenb:velgauge-pr
chillenb:velgauge-pr
50s
Velocity gauge integrals and oscillator strengths for TDSCF using GTH basis sets Lint #2916: Pull request #3007 synchronize by chillenb
52s chillenb:velgauge-pr
chillenb:velgauge-pr
52s
Velocity gauge integrals and oscillator strengths for TDSCF using GTH basis sets CI #3260: Pull request #3007 synchronize by chillenb
2h 18m 49s chillenb:velgauge-pr
chillenb:velgauge-pr
2h 18m 49s
Velocity gauge integrals and oscillator strengths for TDSCF using GTH basis sets Lint #2915: Pull request #3007 opened by chillenb
50s chillenb:velgauge-pr
chillenb:velgauge-pr
50s
Velocity gauge integrals and oscillator strengths for TDSCF using GTH basis sets CI #3259: Pull request #3007 opened by chillenb
2h 19m 16s chillenb:velgauge-pr
chillenb:velgauge-pr
2h 19m 16s
Improve docstrings CI #3258: Pull request #3003 synchronize by sunqm
2h 20m 27s sunqm:improve-docs
sunqm:improve-docs
2h 20m 27s
Improve docstrings Lint #2914: Pull request #3003 synchronize by sunqm
49s sunqm:improve-docs
sunqm:improve-docs
49s
Improve docstrings CI #3257: Pull request #3003 synchronize by sunqm
1m 38s sunqm:improve-docs
sunqm:improve-docs
1m 38s
Improve docstrings Lint #2913: Pull request #3003 synchronize by sunqm
54s sunqm:improve-docs
sunqm:improve-docs
54s
Improve docstrings Lint #2912: Pull request #3003 opened by sunqm
52s sunqm:improve-docs
sunqm:improve-docs
52s
Improve docstrings CI #3256: Pull request #3003 opened by sunqm
1h 24m 35s sunqm:improve-docs
sunqm:improve-docs
1h 24m 35s
Fix max_memory in EOM-CCSD kernel CI #3255: Commit 774cef0 pushed by sunqm
2h 20m 51s master
master
2h 20m 51s
Fix max_memory in EOM-CCSD kernel Lint #2911: Commit 774cef0 pushed by sunqm
52s master
master
52s
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