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Releases: AkimovLab/Project_Libra-xTB

Revised xTB/Libra project repository

05 Jun 16:33
@alexvakimov alexvakimov
v2.0.0
1d1409c
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Revised xTB/Libra project repository Latest
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This release contains details and input files consistent with the revision of our xTB manuscript

  • Revised multiple scripts and inputs for prior calculations on Si NCs and g-C3N4
  • Added new scripts and inputs for the MIL-125-NH2 MOF
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Libra-xTB project

25 Mar 17:48
@alexvakimov alexvakimov
v1.0.1
5836188
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Libra-xTB project 
Merge pull request #1 from MohammadShakiba/main

The input files of the Libra/xTB project
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Libra-xTB project

24 Mar 13:24
@alexvakimov alexvakimov
v1.0.0
5836188
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Libra-xTB project 
Merge pull request #1 from MohammadShakiba/main

The input files of the Libra/xTB project
Assets 2
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