PyDigger - unearthing stuff about Python


NameVersionSummarydate
read-structure-step 2025.1.3.1 A SEAMM plug-in to read common formats in computational chemistry 2025-01-03 22:35:49
forcefield-step 2024.12.14 A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations. 2024-12-15 00:31:24
dftbplus-step 2024.12.14 A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code. 2024-12-14 22:47:12
mopac-step 2024.12.9 A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC 2024-12-09 19:32:55
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
loop-step 2024.11.19 A SEAMM plug-in which provides loops in flowcharts. 2024-11-19 19:03:36
from-smiles-step 2024.10.31 A SEAMM plug-in for creating structures from a SMILES string. 2024-10-31 13:48:06
lammps-step 2024.8.22 A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code. 2024-08-22 14:42:54
plexhints 2024.809.14117 Type hinting library for Plex plugin development. 2024-08-09 02:10:52
packmol-step 2024.6.29 A SEAMM plug-in for building periodic boxes of fluid using Packmol 2024-06-29 14:38:06
seamm-installer 2024.4.22 The installer/updater for SEAMM (Simulation Environment for Atomistic and Molecular Simulations). 2024-04-22 21:45:17
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