| Name | Version | Summary | date |
| seamm |
2024.5.27 |
The core of the SEAMM environment and graphical interface. |
2024-05-28 00:06:38 |
| gaussian-step |
2024.5.27 |
A SEAMM plugin for A SEAMM plug-in for Gaussian |
2024-05-27 23:36:11 |
| diffusivity-step |
2024.5.26 |
A SEAMM plug-in for Diffusivity |
2024-05-26 13:40:20 |
| psi4-step |
2024.5.23.3 |
A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4 |
2024-05-23 23:05:38 |
| seamm-dashboard-client |
2024.5.23 |
A Python client for the SEAMM Dashboard RESTful API. |
2024-05-23 21:20:34 |
| energy-scan-step |
2024.5.23 |
A SEAMM plug-in for calculating energy profiles along coordinates |
2024-05-23 18:23:21 |
| mopac-step |
2024.5.14 |
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC |
2024-05-14 20:38:28 |
| torchani-step |
2024.5.12.1 |
A SEAMM plug-in for TorchANI |
2024-05-12 19:31:43 |
| quickmin-step |
2024.5.7 |
A SEAMM plug-in for simple, quick minimization |
2024-05-07 13:37:59 |
| seamm-installer |
2024.4.22 |
The installer/updater for SEAMM (Simulation Environment for Atomistic and Molecular Simulations). |
2024-04-22 21:45:17 |
| thermal-conductivity-step |
2024.3.22 |
A SEAMM plug-in for Thermal Conductivity |
2024-03-22 19:37:16 |
| lammps-step |
2024.3.22 |
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code. |
2024-03-22 19:33:00 |
| packmol-step |
2024.3.20.1 |
A SEAMM plug-in for building periodic boxes of fluid using Packmol |
2024-03-20 14:24:04 |
| seamm-datastore |
2024.3.12 |
seamm_datastore |
2024-03-12 19:33:52 |
| fhi-aims-step |
2024.1.19 |
A SEAMM plug-in for FHI-aims |
2024-01-19 20:35:52 |
| 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 |