Initial Polarization Process

2023-02-23 04:07:40 -03:00
parent 0f7484756b
commit b9b6c373b1
6 changed files with 73 additions and 23 deletions
--- a/crystalpol/shared/config/config.py
+++ b/crystalpol/shared/config/config.py
@@ -10,6 +10,7 @@ class Config:

    n_procs: int = 1
    pop: str = "chelpg"
+    charge_tolerance = 0.02
    comment: str = "crystalpol"
    simulation_dir = "simfiles"
    mult: list = \