| Name | Date | Size | #Lines | LOC | ||
|---|---|---|---|---|---|---|
| .. | 30-Sep-2021 | - | ||||
| README | H A D | 30-Sep-2021 | 286 | 8 | 6 | |
| bar.py | H A D | 30-Sep-2021 | 2.2 KiB | 90 | 74 | |
| fdti.py | H A D | 30-Sep-2021 | 922 | 38 | 28 | |
| fep.py | H A D | 30-Sep-2021 | 489 | 25 | 17 | |
| nti.py | H A D | 30-Sep-2021 | 731 | 32 | 22 |
README
1These are utility scripts provided as part of the FEP package for 2free energy perturbation simulations with soft-core pair potentials in 3LAMMPS. 4 5The person who created these tools is Agilio Padua at ENS de Lyon 6(agilio.padua at ens-lyon.fr) 7Contact him directly if you have questions. 8