Releases
v3.0.23
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Bug Fixes
add missing include (f580642 )
error in probe parameters (28ce42f )
fix morse potential - read equilibrium distance, print to output, subtract one similar to raspa2 (d2c5335 )
output to pdb (0ba95e9 )
prevent bump_version.py to alter cmake version (1c7e09a )
printing of morse parameters (b3cfccd )
spacegroup reading klw zeolite (063f666 )
unify library linking (22ba520 )
use correct forcefield in reader (a1ba46d )
zn parameter set to dreiding (401af1f )
Features
add monte carlo psd gpu version (98a8cb0 )
add n2 as probe parameters (c7d1588 )
cli add nitrogen parameter zeolite (19f8eb5 )
cli automatic force field detection (9590a18 )
cli energy void-fraction (826c37f )
cli improvements (55c10c7 )
cpu integration method (125010a )
cylinder and square external fields (96b0c3b )
improve monte carlo psd (90c3591 )
improve monte carlo psd gpu version (b4f5c21 )
input for external field channels (7d2f471 )
surface area gpu monte carlo gpu method (ac2f3c8 )
use import std (08ed431 )
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