Releases: seixas-research/oncapintada
Releases · seixas-research/oncapintada
v26.4.19
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What is new?
Creates the documentation with sphinx
v26.4.17
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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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Creates the method line_profile in MultiComponentAlloy class.
Improves the examples in examples/notebook.
v26.4.15
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What is new?
Corrects the get_enthalpy_of_mixing method in the MultiComponentAlloy.
v26.4.13
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Creates the get_phonons method in Vibrational class.
v26.4.12
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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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What is new?
Constants and conversion factors are now in the constants.py file
v26.4.9
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What is new?
Corrects the methods of the QCABinary class.
v26.4.8
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What is new?
Corrects the variables for the temperature in subregular_model and qca model
v26.4.7
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What is new?
Creates the get_configurational_energy and get_gibbs_free_energy in subregular_model
Creates the example02 in examples/notebooks