After the recent changes on symmetry modules, the speed of supergroup is likely to become slower due to the visit of t/k subgroup data. Needs to bring the speed back.
On the bright side, the memory usage is less.
import psutil
import os
def print_memory_usage():
process = psutil.Process(os.getpid())
mem_info = process.memory_info()
print(f"Memory usage: {mem_info.rss / 1024 ** 2:.2f} MB") # RSS is the Resident Set Size
if __name__ == "__main__":
print_memory_usage()
from pyxtal.symmetry import Group
print_memory_usage()
g = Group(4, quick=True)
print_memory_usage()
g = Group(227)
print_memory_usage()
from pyxtal import pyxtal
xtal = pyxtal()
xtal.from_spg_wps_rep(194, ['2c', '2b'], [2.46, 6.70])
print_memory_usage()
xtal.subgroup_once()
print_memory_usage()
After the recent changes on symmetry modules, the speed of supergroup is likely to become slower due to the visit of t/k subgroup data. Needs to bring the speed back.
On the bright side, the memory usage is less.
The old results are
commit 07d63b30a7019e1af5a92e0cb99ae6d5a9c5088e
commit 85aa6ae7d6a827a50b849cb73b69ddabffb81a2c