| Name | Version | Summary | date |
| reaction-path-step |
2024.12.14 |
A SEAMM plugin for finding transition states and reaction paths |
2024-12-15 00:51:51 |
| 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 |
| energy-scan-step |
2024.12.14 |
A SEAMM plug-in for calculating energy profiles along coordinates |
2024-12-15 00:05:05 |
| dftbplus-step |
2024.12.14 |
A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code. |
2024-12-14 22:47:12 |
| gaussian-step |
2024.12.11 |
A SEAMM plugin for A SEAMM plug-in for Gaussian |
2024-12-11 22:08:19 |
| seamm |
2024.12.7 |
The core of the SEAMM environment and graphical interface. |
2024-12-10 22:27:56 |
| 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 |
| read-structure-step |
2024.12.7 |
A SEAMM plug-in to read common formats in computational chemistry |
2024-12-07 15:44:47 |
| loop-step |
2024.11.19 |
A SEAMM plug-in which provides loops in flowcharts. |
2024-11-19 19:03:36 |
| 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 |
| from-smiles-step |
2024.10.31 |
A SEAMM plug-in for creating structures from a SMILES string. |
2024-10-31 13:48:06 |
| 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 |
| lammps-step |
2024.8.22 |
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code. |
2024-08-22 14:42:54 |
| diffusivity-step |
2024.7.30 |
A SEAMM plug-in for Diffusivity |
2024-07-30 13:51:51 |
| packmol-step |
2024.6.29 |
A SEAMM plug-in for building periodic boxes of fluid using Packmol |
2024-06-29 14:38:06 |
| seamm-dashboard-client |
2024.6.27 |
A Python client for the SEAMM Dashboard RESTful API. |
2024-06-26 22:04:36 |
| thermal-conductivity-step |
2024.6.3 |
A SEAMM plug-in for Thermal Conductivity |
2024-06-03 16:45:38 |