PyDigger - unearthing stuff about Python


NameVersionSummarydate
reaction-path-step 2024.12.14 A SEAMM plugin for finding transition states and reaction paths 2024-12-15 00:51:51
energy-scan-step 2024.12.14 A SEAMM plug-in for calculating energy profiles along coordinates 2024-12-15 00:05:05
gaussian-step 2024.12.11 A SEAMM plugin for A SEAMM plug-in for Gaussian 2024-12-11 22:08:19
subflowchart-step 2024.11.18 A SEAMM plug-in for subflowcharts 2024-11-18 20:40:14
fhi-aims-step 2024.10.31 A SEAMM plug-in for FHI-aims 2024-10-31 23:33:18
structure-step 2024.10.24 A SEAMM plug-in for energy optimized structures 2024-10-20 16:11:10
torchani-step 2024.10.15 A SEAMM plug-in for TorchANI 2024-10-15 21:22:30
diffusivity-step 2024.7.30 A SEAMM plug-in for Diffusivity 2024-07-30 13:51:51
thermal-conductivity-step 2024.6.3 A SEAMM plug-in for Thermal Conductivity 2024-06-03 16:45:38
quickmin-step 2024.5.7 A SEAMM plug-in for simple, quick minimization 2024-05-07 13:37:59
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