PyDigger - unearthing stuff about Python


NameVersionSummarydate
psi4-step 2024.3.17 A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4 2024-03-17 21:24:23
mopac-step 2024.3.17 A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC 2024-03-17 10:06:49
plexhints 2024.229.193202 Type hinting library for Plex plugin development. 2024-02-29 19:41:03
dftbplus-step 2024.1.18 A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code. 2024-01-19 00:20:38
forcefield-step 2024.1.10 A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations. 2024-01-10 16:16:11
custom-step 2023.12.12 A SEAMM plug-in for custom Python scripts in a flowchart. 2023-12-12 20:17:12
read-structure-step 2023.11.16 A SEAMM plug-in to read common formats in computational chemistry 2023-11-16 19:46:01
table-step 2023.11.10 A SEAMM plug-in for data tables in a flowchart. 2023-11-10 11:20:58
from-smiles-step 2023.11.10 A SEAMM plug-in for creating structures from a SMILES string. 2023-11-10 11:15:07
supercell-step 2023.11.5 A SEAMM plug-in for building supercells of periodic systems. 2023-11-05 22:13:33
loop-step 2023.10.30 A SEAMM plug-in which provides loops in flowcharts. 2023-10-30 15:39:12
control-parameters-step 2023.10.21 A SEAMM plug-in for defining command-line parameters for a flowchart. 2023-10-21 16:52:34
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