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Justin D'Souza
,
Pham, Huy
2
Jan 6
Stress Tensor Information in ChIMES
Hi Justin, You have identify the problem: the python script (vasp2xyzf.py) exports the stress tensor
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Stress Tensor Information in ChIMES
Hi Justin, You have identify the problem: the python script (vasp2xyzf.py) exports the stress tensor
Jan 6
Tao Cheng
, …
rkl...@umich.edu
5
10/8/22
How to train the force field parameters
Great, Thanks for the good news. I will give it a try. Best, Tao On Fri, Oct 7, 2022 at 12:38 PM
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How to train the force field parameters
Great, Thanks for the good news. I will give it a try. Best, Tao On Fri, Oct 7, 2022 at 12:38 PM
10/8/22
Xavier Bidault
, …
Manuel Melle Franco
8
5/3/22
Most recent CHON ChiMES parameter file for DFTB+
Thanks, I'll try it ASAP, really great work BTW! regards M On Tue, May 3, 2022 at 7:54 PM Pham,
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Most recent CHON ChiMES parameter file for DFTB+
Thanks, I'll try it ASAP, really great work BTW! regards M On Tue, May 3, 2022 at 7:54 PM Pham,
5/3/22
