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Merge change_energy_bias and fix finetune
Pull Request Labeler #3056: Pull request #3378 synchronize by iProzd
March 3, 2024 02:30 10s
March 3, 2024 02:30 10s
Merge change_energy_bias and fix finetune
Pull Request Labeler #3055: Pull request #3378 synchronize by iProzd
March 3, 2024 02:22 12s
March 3, 2024 02:22 12s
do not return g2, h2, sw in hybrid descriptors
Pull Request Labeler #3054: Pull request #3396 opened by njzjz
March 3, 2024 01:31 14s
March 3, 2024 01:31 14s
allow loading either nsel or natoms atomic tensor data
Pull Request Labeler #3053: Pull request #3394 synchronize by njzjz
March 3, 2024 01:03 12s
March 3, 2024 01:03 12s
ut: add null test
Pull Request Labeler #3052: Pull request #3391 synchronize by wanghan-iapcm
March 3, 2024 00:41 13s
March 3, 2024 00:41 13s
allow loading either nsel or natoms atomic tensor data
Pull Request Labeler #3051: Pull request #3394 synchronize by njzjz
March 3, 2024 00:04 10s
March 3, 2024 00:04 10s
pt: ban torch.testing.assert_allclose
Pull Request Labeler #3050: Pull request #3395 opened by njzjz
March 2, 2024 23:44 12s
March 2, 2024 23:44 12s
allow loading either nsel or natoms atomic tensor data
Pull Request Labeler #3049: Pull request #3394 opened by njzjz
March 2, 2024 23:18 17s
March 2, 2024 23:18 17s
pt: Add support for dipole and polar training
Pull Request Labeler #3048: Pull request #3380 synchronize by iProzd
March 2, 2024 19:42 11s
March 2, 2024 19:42 11s
pt: Add support for dipole and polar training
Pull Request Labeler #3047: Pull request #3380 synchronize by iProzd
March 2, 2024 18:43 12s
March 2, 2024 18:43 12s
pt: Add support for dipole and polar training
Pull Request Labeler #3046: Pull request #3380 synchronize by iProzd
March 2, 2024 18:16 11s
March 2, 2024 18:16 11s
pt: Add support for dipole and polar training
Pull Request Labeler #3045: Pull request #3380 synchronize by iProzd
March 2, 2024 18:03 30s
March 2, 2024 18:03 30s
pt: Add support for dipole and polar training
Pull Request Labeler #3044: Pull request #3380 synchronize by iProzd
March 2, 2024 18:00 26s
March 2, 2024 18:00 26s
pt: Add support for dipole and polar training
Pull Request Labeler #3043: Pull request #3380 synchronize by iProzd
March 2, 2024 17:55 34s
March 2, 2024 17:55 34s
pt: Add support for dipole and polar training
Pull Request Labeler #3042: Pull request #3380 synchronize by iProzd
March 2, 2024 17:52 2m 16s
March 2, 2024 17:52 2m 16s
Merge change_energy_bias and fix finetune
Pull Request Labeler #3041: Pull request #3378 synchronize by iProzd
March 2, 2024 17:50 17s
March 2, 2024 17:50 17s
Merge change_energy_bias and fix finetune
Pull Request Labeler #3040: Pull request #3378 synchronize by iProzd
March 2, 2024 17:50 8s
March 2, 2024 17:50 8s
throw errros if rmin is no less than rmax
Pull Request Labeler #3039: Pull request #3393 opened by njzjz
March 2, 2024 16:54 12s
March 2, 2024 16:54 12s
Merge change_energy_bias and fix finetune
Pull Request Labeler #3038: Pull request #3378 synchronize by iProzd
March 2, 2024 16:37 14s
March 2, 2024 16:37 14s
ut: add null test
Pull Request Labeler #3037: Pull request #3391 opened by wanghan-iapcm
March 2, 2024 15:08 13s
March 2, 2024 15:08 13s
add mask to atomic model output when an atomic type exclusion presents.
Pull Request Labeler #3036: Pull request #3389 synchronize by wanghan-iapcm
March 2, 2024 11:47 12s
March 2, 2024 11:47 12s
breaking: change DeepTensor output dim from nsel_atoms to natoms
Pull Request Labeler #3035: Pull request #3390 synchronize by njzjz
March 2, 2024 10:25 11s
March 2, 2024 10:25 11s
pt: fix params with no docstrs
Pull Request Labeler #3034: Pull request #3388 synchronize by njzjz
March 2, 2024 09:34 18m 41s
March 2, 2024 09:34 18m 41s
breaking: change DeepTensor output dim from nsel_atoms to natoms
Pull Request Labeler #3033: Pull request #3390 opened by njzjz
March 2, 2024 09:28 6m 33s
March 2, 2024 09:28 6m 33s
add mask to atomic model output when an atomic type exclusion presents.
Pull Request Labeler #3032: Pull request #3389 opened by wanghan-iapcm
March 2, 2024 09:26 3m 56s
March 2, 2024 09:26 3m 56s
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