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Releases: seixas-research/oncapintada

v26.4.19

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@leseixas leseixas released this 08 Apr 01:51

What is new?

  • Creates the documentation with sphinx

v26.4.17

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@leseixas leseixas released this 05 Apr 04:44

What is new?

  • Create the unit tests for the subregular_model module.
  • Creates a new module, new_subregular_model, which is a refactoring of subregular_model. Candidate to replace.

v26.4.16

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@leseixas leseixas released this 03 Apr 20:50

What is new?

  • Creates the method line_profile in MultiComponentAlloy class.
  • Improves the examples in examples/notebook.

v26.4.15

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@leseixas leseixas released this 02 Apr 02:19

What is new?

  • Corrects the get_enthalpy_of_mixing method in the MultiComponentAlloy.

v26.4.13

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@leseixas leseixas released this 01 Apr 05:31

What is new?

  • Creates the get_phonons method in Vibrational class.

v26.4.12

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@leseixas leseixas released this 01 Apr 04:59

What is new?

  • Creates the method get_number_of_modes in Vibrational class.
  • Corrects the integration for vibrational enthalpy and entropy.

v26.4.10

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@leseixas leseixas released this 31 Mar 23:59

What is new?

  • Constants and conversion factors are now in the constants.py file

v26.4.9

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@leseixas leseixas released this 31 Mar 22:03

What is new?

  • Corrects the methods of the QCABinary class.

v26.4.8

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@leseixas leseixas released this 31 Mar 20:45

What is new?

  • Corrects the variables for the temperature in subregular_model and qca model

v26.4.7

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@leseixas leseixas released this 31 Mar 20:16

What is new?

  • Creates the get_configurational_energy and get_gibbs_free_energy in subregular_model
  • Creates the example02 in examples/notebooks