How many atoms totally it uses in mattergen and what are they

[yuhao1982]

As the title shows , How many atoms totally it uses in mattergen and what are they, like 'C', 'H', 'O', etc and what is the order of them ? As I need the consistency with atom_embedding layer

[ClaudioZeni]

Transferring this to Q&A

[luisbro]

I'm not exactly sure what you mean, but here you can see the atomic numbers of the elements used in mattergen

mattergen/mattergen/common/utils/globals.py

Lines 55 to 133 in ec029d1

	SELECTED_ATOMIC_NUMBERS = [
	1,
	3,
	4,
	5,
	6,
	7,
	8,
	9,
	11,
	12,
	13,
	14,
	15,
	16,
	17,
	19,
	20,
	21,
	22,
	23,
	24,
	25,
	26,
	27,
	28,
	29,
	30,
	31,
	32,
	33,
	34,
	35,
	37,
	38,
	39,
	40,
	41,
	42,
	44,
	45,
	46,
	47,
	48,
	49,
	50,
	51,
	52,
	53,
	55,
	56,
	57,
	58,
	59,
	60,
	62,
	63,
	64,
	65,
	66,
	67,
	68,
	69,
	70,
	71,
	72,
	73,
	74,
	75,
	76,
	77,
	78,
	79,
	80,
	81,
	82,
	83,
	]
	MAX_ATOMIC_NUM = 100

and that everything above atomic number 100 is excluded

[ClaudioZeni]

MatterGen supports all elements up to atomic number 83 (included) and excluding noble gases and radioactive elements.