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Merge branch 'devel' into fix/linear-mixtype
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anyangml authored May 8, 2024
2 parents 90da1ad + 6f06adb commit 9d88a86
Showing 1 changed file with 4 additions and 1 deletion.
5 changes: 4 additions & 1 deletion source/tests/pt/model/test_permutation.py
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# SPDX-License-Identifier: LGPL-3.0-or-later
import copy
import os
import unittest

import torch
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env,
)

CUR_DIR = os.path.dirname(__file__)

dtype = torch.float64

model_se_e2_a = {
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model_zbl = {
"type_map": ["O", "H", "B"],
"use_srtab": "source/tests/pt/model/water/data/zbl_tab_potential/H2O_tab_potential.txt",
"use_srtab": f"{CUR_DIR}/water/data/zbl_tab_potential/H2O_tab_potential.txt",
"smin_alpha": 0.1,
"sw_rmin": 0.2,
"sw_rmax": 1.0,
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