PyDigger - unearthing stuff about Python


NameVersionSummarydate
seamm-widgets 2025.10.22 seamm_widgets 2025-10-22 19:54:38
thermomechanical-step 2025.9.6 A SEAMM plug-in for calculating thermomechanical properties 2025-09-06 23:54:06
packmol-step 2025.9.6 A SEAMM plug-in for building periodic boxes of fluid using Packmol 2025-09-06 15:54:24
molsystem 2025.9.4 molsystem 2025-09-04 16:07:41
seamm-util 2025.8.27 seamm_util 2025-08-27 17:58:55
seamm-installer 2025.8.22 The installer/updater for SEAMM (Simulation Environment for Atomistic and Molecular Simulations). 2025-08-22 19:52:49
energy-scan-step 2025.8.20 A SEAMM plug-in for calculating energy profiles along coordinates 2025-08-20 13:51:14
gaussian-step 2025.8.20 A SEAMM plugin for A SEAMM plug-in for Gaussian 2025-08-20 13:30:12
seamm-ff-util 2025.8.1 seamm_ff_util 2025-08-01 17:50:23
loop-step 2025.7.23 A SEAMM plug-in which provides loops in flowcharts. 2025-07-23 20:28:39
forcefield-step 2025.7.22 A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations. 2025-07-22 17:54:35
geometry-analysis-step 2025.7.16 A SEAMM plug-in for analysis of the geometry of particularly small molecules 2025-07-16 19:25:01
torchani-step 2025.3.10 A SEAMM plug-in for TorchANI 2025-03-10 21:36:19
dftbplus-step 2025.3.3 A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code. 2025-03-03 20:37:43
quickmin-step 2025.2.24 A SEAMM plug-in for simple, quick minimization 2025-02-24 19:21:52
mopac-step 2025.2.23 A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC 2025-02-24 19:06:08
thermochemistry-step 2025.1.31 A SEAMM plug-in for Thermochemistry 2025-01-31 20:24:01
reaction-path-step 2024.12.14 A SEAMM plugin for finding transition states and reaction paths 2024-12-15 00:51:51
psi4-step 2024.12.7 A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4 2024-12-07 15:48:02
subflowchart-step 2024.11.18 A SEAMM plug-in for subflowcharts 2024-11-18 20:40:14
Paul Saxe
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