diff --git a/src/py/mat3ra/code/constants.py b/src/py/mat3ra/code/constants.py index a47976a..6434764 100644 --- a/src/py/mat3ra/code/constants.py +++ b/src/py/mat3ra/code/constants.py @@ -45,6 +45,8 @@ class Coefficients: cm_inv_to_ev = 0.00012398 # cm^-1 to eV ry_bohr_to_eV_A = 25.71104309541616 # or RYDBERG / BOHR + EV_PER_ANGSTROM3_TO_GPA = CONSTANTS.e / (1e-10) ** 3 / 1e9 + class Tolerance: # in crystal coordinates