pyxtal_ff/__init__.py,sha256=Fat0aFDZ2r4jKkt9DsC_U3VK8uU7NPRsnPsN3b9umng,20497
pyxtal_ff/test_all.py,sha256=WHHbW0Bm09WjWWh84-pD1agDSoSuXE3DEO_Zge6XWL0,13768
pyxtal_ff/test_properties.py,sha256=-vrUNvBujQo2KyfZA22s44ef6-x2IKK-AIpKWL7MqxM,2425
pyxtal_ff/version.py,sha256=gW5NUxwGdPsiQjn0cOuuQT11pfthByI5DITDg_HMhLQ,22
pyxtal_ff/calculator/__init__.py,sha256=lk2FGeHtcKtM0ZJ98jsW2waoUB5Qlp53tIjyM-zs3Lg,3899
pyxtal_ff/calculator/elastic.py,sha256=ItbaJg7Lj1NtTipS2W23XCEPVZbwT80IZTJS50BdUIQ,28528
pyxtal_ff/calculator/elasticity.py,sha256=dxeScq2NnqBXlAeB6tIkBtnFFijhiKyLO0WmdbhBVSg,40718
pyxtal_ff/calculator/lammpslib.py,sha256=m4iF5uxRJ9UyDkdK8fM1O6qux7FiSQawzpZX44fb8OM,9647
pyxtal_ff/calculator/mushybox.py,sha256=291HgJmAvm8vRgnvPRQbGbbRVVe-n9s4ec-WI0fKBEY,3280
pyxtal_ff/calculator/phonon.py,sha256=Jz0wtXnL7mAztfMoZ5lgxXEX_h8FQlUOV20hEziB6i8,4741
pyxtal_ff/datasets/Si/PyXtal/PES_graph.py,sha256=FQqVo5gkD7QtfV1BCENJuJTMkBf5slR-FECYZW_Iad0,1440
pyxtal_ff/datasets/Si/PyXtal/Si.json,sha256=denSV_6SGas2JgVTqZKNj2hybc5VaHgc5croGuuU7Wc,5962631
pyxtal_ff/datasets/Si/PyXtal/Si16.json,sha256=BvSLeyQRsWLKE3-t2hkgFJv6Cy0tety9A33fy1g0qE4,2796048
pyxtal_ff/datasets/Si/PyXtal/Si4.json,sha256=KI0shwKwTaFxXBLQQo1ke9ZcIYzcC2sHj_nbyU0g-Jg,2138186
pyxtal_ff/datasets/Si/PyXtal/Si6.json,sha256=CAdOIMcPYRvTSQilNMY98HErpWsMU39rPhaS3vzuhHs,2958905
pyxtal_ff/datasets/Si/PyXtal/Si8.json,sha256=x7O3e0pDLm4nWH1mz_I1yXe9BsnGAUwPlB6cYnokEQ4,3623101
pyxtal_ff/datasets/Si/PyXtal/Si_train.json,sha256=ZE2csRLU67AYYnvf5_1Q3ctN9bF1bxMLNbgfNMckM7A,8912277
pyxtal_ff/descriptors/ACSF.py,sha256=H6_G0BcN0mCk-KktUPB1L6M8SKQCrZYPV5SRYy6QucQ,44257
pyxtal_ff/descriptors/EAD.py,sha256=UP6XoF4TRTUd45Pfc1sInHJk2eXAAncM4SEHX-fB5w8,16932
pyxtal_ff/descriptors/EAMD.py,sha256=kgKEnnRgpwxbEMrB5tzxoa5t8awzi3pzE6xlzVy9RWY,15997
pyxtal_ff/descriptors/SNAP.py,sha256=x3LFCfkqD3-dAk5cHxkxcNll9Dgn9KwOUQrkc9ULzx8,61331
pyxtal_ff/descriptors/SO3.py,sha256=XB6W0HJyag49mVYQdaVbkW122D_eOXHykBFuU8obQwU,43135
pyxtal_ff/descriptors/SO4.py,sha256=cNoQpQU-EAIcGxS_UStFk4vgu2lszGh63Tw_wXELMUc,60260
pyxtal_ff/descriptors/SOAP.py,sha256=RA6diI1B0SzWQPY9NZrUq-9EJPVhqPYd1TZgazcVyEE,31218
pyxtal_ff/descriptors/Wigner_coefficients.npy,sha256=4KUZhY_kGo7nYYeNtyUqWIT3xSKhqanK3oTO25gOoAY,749448
pyxtal_ff/descriptors/_generate_coefs.py,sha256=JpTElR84EX6iyblMho8UrMAbJ9EENSRCSz6cKV1lGJg,851
pyxtal_ff/descriptors/angular_momentum.py,sha256=Kiig47xKvL8t54VfaCi8848gA-iDMDznaJw6S7_17ZA,11972
pyxtal_ff/descriptors/behlerparrinello.py,sha256=vSbEeZ-4vD096GMR7PIDBBmFIuCQ8qXZ7s4-r45is0I,41822
pyxtal_ff/descriptors/bispectrum.py,sha256=FAssVdGNuQxvHWjp4wQ8HaMhWXpj6pVpVAibv9U-JLA,48874
pyxtal_ff/descriptors/compare_eamd.py,sha256=Kp58gcRP40nyl5O7fyqwiQhmrO3vGJs3TNNs9mkfs_g,804
pyxtal_ff/descriptors/cutoff.py,sha256=YMFa4rSkmosQpJqtp9F7YAgn1WZsHNL_Vt6KZNyYgu8,4550
pyxtal_ff/descriptors/lbispectrum.py,sha256=N-vGs2kf8z7130r6kh_WaMbTi7xEao4sOBhj_ZnHYpw,9525
pyxtal_ff/descriptors/old_eamd.py,sha256=YC-sSExbHzlxuiPL_LTkNUpr-zO6-knFmHnDM7JNbgg,14547
pyxtal_ff/descriptors/utils.py,sha256=altjYQ2FA6iZB4gFT4yGBFVgARc_3gzqOfqwejEJwMA,949
pyxtal_ff/descriptors/wACSF.py,sha256=6BS2ogAwkUqu5oz5MuLOEzKQE-8CLaAKOYiiE856GP0,33183
pyxtal_ff/models/__init__.py,sha256=ToSI3w3G4mQOldeQlzXCQL9M-Kale3sVs9teMfXCaYQ,34883
pyxtal_ff/models/cneuralnetwork.py,sha256=NJ3gQq9a_X2YoW9XJfv1edPm4S9rm_X4cRxtOLPfjyM,23498
pyxtal_ff/models/gaussianprocess.py,sha256=AIAuQqmkNU0c0nb6KKxG-MsZd1HphzcBsbLnr3gB3eo,18813
pyxtal_ff/models/gneuralnetwork.py,sha256=Jk1Gqkrv8i-QSfGkMuiuzUq2PxeOQ46W3rdw0DRXIVE,24944
pyxtal_ff/models/gneuralnetwork2.py,sha256=pcDAIfW97TzebkZQccEpcCmht4yFf3EnWOYiDQWI_5E,26324
pyxtal_ff/models/gneuralnetwork3.py,sha256=HvwZbaLUmGlx82LbqRQYCN2_CCOfXpJGHPXxIMhSuJI,23970
pyxtal_ff/models/neuralnetwork.py,sha256=dpWkvwusXcZiOYb3GpEF8WBGALI7-fHdUbZLvOLJ1O0,52646
pyxtal_ff/models/optimize.py,sha256=exTmlqlbVzq12qEQcEYxkyVta0n9cOXpr9I7GgK6s7U,3722
pyxtal_ff/models/polynomialregression.py,sha256=-hPfrPf_hNaAy-CdNXTGHvGS9Re2vTmdOG2HyQv2Lyw,28311
pyxtal_ff/models/optimizers/lbfgs.py,sha256=VFMZs7YgPTzTlF7eBuPFOETixbazjgwGMYuPNcJCGQY,16834
pyxtal_ff/models/optimizers/lbfgsb.py,sha256=vCsNnnpX3YRikxk8OOjR2RFX3fWaJ1t0NTaJyhNbekc,4630
pyxtal_ff/models/optimizers/regressor.py,sha256=0Af82OO9-bnmeahEIAl-uwCWhjac_J7mo0NmyuOEOpg,4693
pyxtal_ff/utilities/__init__.py,sha256=ZqABZF8cWUJ5JYySsYeOngLECwF9SbkiXWlGI_Bdr84,23800
pyxtal_ff/utilities/elements.py,sha256=MhK5V5rrmMLbsNBFTJx6ZfDxXWJzVTLOOZcQAzLfImo,3543
pyxtal_ff/utilities/gradient.py,sha256=bYn_VXt3PPyveH6AikubVPLq0hKiJow5ZKeWHLSKRoo,2763
pyxtal_ff-0.1.6.dist-info/METADATA,sha256=oBVUDTVIBt3t3Az-O1Cr-AwOscEEvVvF33b1P-FElMs,3663
pyxtal_ff-0.1.6.dist-info/WHEEL,sha256=p46_5Uhzqz6AzeSosiOnxK-zmFja1i22CrQCjmYe8ec,92
pyxtal_ff-0.1.6.dist-info/top_level.txt,sha256=h1VPLraJhx1YAYlssEKeBwekQJ3HrEFs6l1p5KesIhE,10
pyxtal_ff-0.1.6.dist-info/RECORD,,
