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remove extra printing Linux/MacOS Build #187: Commit af62626 pushed by ahurta92
January 8, 2025 20:45 13m 15s macrotask_vbc
macrotask_vbc
January 8, 2025 20:45 13m 15s
Always re-write output.json from calc output files Linux/MacOS Build #186: Commit 0efc660 pushed by ahurta92
December 3, 2024 04:09 9m 33s macrotask_vbc
macrotask_vbc
December 3, 2024 04:09 9m 33s
BetaData to json_table for outputing convient format Linux/MacOS Build #185: Commit 38621cd pushed by ahurta92
December 2, 2024 19:52 11m 29s macrotask_vbc
macrotask_vbc
December 2, 2024 19:52 11m 29s
Complete breaking up VBC tasks Linux/MacOS Build #184: Commit 46574ac pushed by ahurta92
November 19, 2024 19:41 18m 3s macrotask_vbc
macrotask_vbc
November 19, 2024 19:41 18m 3s
fix response inner for general case Linux/MacOS Build #183: Commit 27b047c pushed by ahurta92
November 13, 2024 00:27 13m 24s macrotask_vbc
macrotask_vbc
November 13, 2024 00:27 13m 24s
Fix beta output Linux/MacOS Build #182: Commit 1b0c0a5 pushed by ahurta92
October 24, 2024 15:08 11m 39s macrotask_vbc
macrotask_vbc
October 24, 2024 15:08 11m 39s
Remove the crappy compute_beta_tensor and apply response on single ve… Linux/MacOS Build #181: Commit 601e4f3 pushed by ahurta92
October 21, 2024 20:37 12m 40s macrotask_vbc
macrotask_vbc
October 21, 2024 20:37 12m 40s
Replace deprecated qprojector call Linux/MacOS Build #180: Commit ec53a66 pushed by ahurta92
October 21, 2024 19:03 17m 7s macrotask_vbc
macrotask_vbc
October 21, 2024 19:03 17m 7s
Some extra fencing Linux/MacOS Build #179: Commit f451118 pushed by ahurta92
October 21, 2024 18:01 16m 47s macrotask_vbc
macrotask_vbc
October 21, 2024 18:01 16m 47s
Fix the restart file control Linux/MacOS Build #178: Commit aae51c6 pushed by ahurta92
October 18, 2024 20:20 9m 55s macrotask_vbc
macrotask_vbc
October 18, 2024 20:20 9m 55s
Upgrade response to run using macrotask and vmra only Linux/MacOS Build #177: Commit 2c8e7fb pushed by ahurta92
October 18, 2024 16:57 12m 45s macrotask_vbc
macrotask_vbc
October 18, 2024 16:57 12m 45s
Working version of hyperpolarizability code that uses macro tasks Linux/MacOS Build #176: Commit b5c425c pushed by ahurta92
October 16, 2024 17:21 10m 57s macrotask_vbc
macrotask_vbc
October 16, 2024 17:21 10m 57s
Create version of vbc_i macrotask that works with a single orbital at… Linux/MacOS Build #175: Commit 87b7cae pushed by ahurta92
October 14, 2024 17:27 12m 42s macrotask_vbc
macrotask_vbc
October 14, 2024 17:27 12m 42s
Adding vbc load/save for debugging Linux/MacOS Build #174: Commit d271d4e pushed by ahurta92
October 10, 2024 00:20 16m 21s macrotask_vbc
macrotask_vbc
October 10, 2024 00:20 16m 21s
First draft of vbc_macro_task Linux/MacOS Build #173: Commit 7990081 pushed by ahurta92
October 9, 2024 19:45 21m 25s macrotask_vbc
macrotask_vbc
October 9, 2024 19:45 21m 25s
Remove outdated documentation Linux/MacOS Build #172: Commit 6da6b60 pushed by ahurta92
October 9, 2024 19:42 11m 57s madqc-pr
madqc-pr
October 9, 2024 19:42 11m 57s
Revert "Merge remote-tracking branch 'upstream/master' into response_… Linux/MacOS Build #171: Commit c230380 pushed by ahurta92
October 9, 2024 19:27 10m 33s macrotask_molresponse
macrotask_molresponse
October 9, 2024 19:27 10m 33s
Merge remote-tracking branch 'upstream/master' into response_macrotask Linux/MacOS Build #170: Commit 2310977 pushed by ahurta92
October 9, 2024 17:59 13m 51s macrotask_molresponse
macrotask_molresponse
October 9, 2024 17:59 13m 51s
Revert "Merge remote-tracking branch 'upstream/master' into response_… Linux/MacOS Build #169: Commit 111f72a pushed by ahurta92
October 9, 2024 17:43 10m 3s macrotask_molresponse
macrotask_molresponse
October 9, 2024 17:43 10m 3s
Merge remote-tracking branch 'upstream/master' into response_macrotask Linux/MacOS Build #168: Commit 2310977 pushed by ahurta92
October 9, 2024 17:23 15m 41s macrotask_molresponse
macrotask_molresponse
October 9, 2024 17:23 15m 41s
ignore Linux/MacOS Build #167: Commit a3beb5f pushed by ahurta92
October 8, 2024 19:48 26m 9s macrotask_molresponse
macrotask_molresponse
October 8, 2024 19:48 26m 9s
First implementation of macro_task vbc Linux/MacOS Build #166: Commit ff1fcd9 pushed by ahurta92
October 8, 2024 19:46 23m 36s macrotask_molresponse
macrotask_molresponse
October 8, 2024 19:46 23m 36s
Merge remote-tracking branch 'upstream/fix/fence-semantics' into madq… Linux/MacOS Build #165: Commit 6d7211a pushed by ahurta92
October 8, 2024 19:45 15m 19s macrotask_molresponse
macrotask_molresponse
October 8, 2024 19:45 15m 19s
print out the easier beta output in outputs.json Linux/MacOS Build #164: Commit c9da307 pushed by ahurta92
October 8, 2024 19:45 16m 2s macrotask_molresponse
macrotask_molresponse
October 8, 2024 19:45 16m 2s
print out the easier beta output in outputs.json Linux/MacOS Build #163: Commit c9da307 pushed by ahurta92
October 3, 2024 18:11 10m 13s madqc-pr
madqc-pr
October 3, 2024 18:11 10m 13s