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Added assign_frequency_scale_factor() to Level Labeler #1386: Pull request #750 synchronize by alongd
June 28, 2024 21:52 13s freq_factors
freq_factors
June 28, 2024 21:52 13s
Reduce clutter in restart dict Labeler #1385: Pull request #751 opened by alongd
June 28, 2024 21:25 14s input_defaults
input_defaults
June 28, 2024 21:25 14s
Added assign_frequency_scale_factor() to Level Labeler #1384: Pull request #750 synchronize by alongd
June 28, 2024 16:31 15s freq_factors
freq_factors
June 28, 2024 16:31 15s
Added assign_frequency_scale_factor() to Level Labeler #1383: Pull request #750 synchronize by alongd
June 28, 2024 16:27 10s freq_factors
freq_factors
June 28, 2024 16:27 10s
Added assign_frequency_scale_factor() to Level Labeler #1382: Pull request #750 synchronize by alongd
June 28, 2024 14:35 12s freq_factors
freq_factors
June 28, 2024 14:35 12s
Added assign_frequency_scale_factor() to Level Labeler #1381: Pull request #750 synchronize by alongd
June 28, 2024 04:02 11s freq_factors
freq_factors
June 28, 2024 04:02 11s
Added assign_frequency_scale_factor() to Level Labeler #1380: Pull request #750 synchronize by alongd
June 27, 2024 20:24 26s freq_factors
freq_factors
June 27, 2024 20:24 26s
Added assign_frequency_scale_factor() to Level Labeler #1379: Pull request #750 synchronize by alongd
June 27, 2024 20:23 12s freq_factors
freq_factors
June 27, 2024 20:23 12s
Added assign_frequency_scale_factor() to Level Labeler #1378: Pull request #750 opened by alongd
June 27, 2024 20:19 12s freq_factors
freq_factors
June 27, 2024 20:19 12s
Modified MRCI implementation in Molpro and Orca adapters Labeler #1377: Pull request #746 synchronize by alongd
June 26, 2024 05:00 10s mrci
mrci
June 26, 2024 05:00 10s
Don't execute jobs on a server if the maximum job limit has been reached Labeler #1376: Pull request #744 synchronize by alongd
June 25, 2024 10:18 14s max_jobs
max_jobs
June 25, 2024 10:18 14s
Don't execute jobs on a server if the maximum job limit has been reached Labeler #1375: Pull request #744 synchronize by alongd
June 25, 2024 10:00 11s max_jobs
max_jobs
June 25, 2024 10:00 11s
Don't execute jobs on a server if the maximum job limit has been reached Labeler #1374: Pull request #744 synchronize by alongd
June 25, 2024 09:53 10s max_jobs
max_jobs
June 25, 2024 09:53 10s
Modified MRCI implementation in Molpro and Orca adapters Labeler #1373: Pull request #746 synchronize by alongd
June 25, 2024 07:13 13s mrci
mrci
June 25, 2024 07:13 13s
Don't execute jobs on a server if the maximum job limit has been reached Labeler #1372: Pull request #744 synchronize by alongd
June 25, 2024 07:08 11s max_jobs
max_jobs
June 25, 2024 07:08 11s
Don't run freq for IRC species Labeler #1371: Pull request #749 synchronize by alongd
June 25, 2024 07:03 13s no_freq_irc
no_freq_irc
June 25, 2024 07:03 13s
Use the WELL_GAP constant in conformers Labeler #1370: Pull request #745 synchronize by JintaoWu98
June 24, 2024 08:14 15s conf_well_gap
conf_well_gap
June 24, 2024 08:14 15s
Don't run freq for IRC species Labeler #1369: Pull request #749 synchronize by alongd
June 23, 2024 11:58 10s no_freq_irc
no_freq_irc
June 23, 2024 11:58 10s
Don't run freq for IRC species Labeler #1368: Pull request #749 opened by alongd
June 23, 2024 11:52 10s no_freq_irc
no_freq_irc
June 23, 2024 11:52 10s
Don't execute jobs on a server if the maximum job limit has been reached Labeler #1367: Pull request #744 synchronize by alongd
June 23, 2024 11:41 12s max_jobs
max_jobs
June 23, 2024 11:41 12s
Use the WELL_GAP constant in conformers Labeler #1366: Pull request #745 synchronize by alongd
June 23, 2024 11:41 13s conf_well_gap
conf_well_gap
June 23, 2024 11:41 13s
Modified MRCI implementation in Molpro and Orca adapters Labeler #1365: Pull request #746 synchronize by alongd
June 23, 2024 11:41 11s mrci
mrci
June 23, 2024 11:41 11s
Fixed the sella env Labeler #1364: Pull request #748 opened by kfir4444
June 23, 2024 07:53 12s fix_xtb
fix_xtb
June 23, 2024 07:53 12s
Modified MRCI implementation in Molpro and Orca adapters Labeler #1363: Pull request #746 synchronize by alongd
June 23, 2024 07:43 13s mrci
mrci
June 23, 2024 07:43 13s
Removed Sella test due to package instability Labeler #1362: Pull request #747 opened by alongd
June 20, 2024 12:50 10s xtb_test
xtb_test
June 20, 2024 12:50 10s