Search results

Nuclear gradients: Stresses

Status: Open.

#97 In XanaduAI/GradDFT;

· jackbaker1001 opened on Dec 11, 2023

 ·  

High priority featutres

Nuclear gradients: Forces

Status: Open.

#96 In XanaduAI/GradDFT;

· jackbaker1001 opened on Dec 11, 2023

 ·  

High priority featutres

Exporting models to use in popular DFT codes

Status: Open.

#94 In XanaduAI/GradDFT;

· jackbaker1001 opened on Dec 7, 2023

 ·  

High priority featutres

Deleting the unused branches

Status: Open.

#90 In XanaduAI/GradDFT;

· PabloAMC opened on Sep 28, 2023

Sharding the computation between GPUs

enhancementNew feature or requestNew feature or request

Status: Open.

#83 In XanaduAI/GradDFT;

· PabloAMC opened on Sep 23, 2023

 ·  

Performance optimization

The return of the NaN

Status: Open.

#72 In XanaduAI/GradDFT;

· jackbaker1001 opened on Sep 19, 2023

Do we want to make Grad DFT pip-listed and installable?

questionFurther information is requestedFurther information is requested

wontfixThis will not be worked onThis will not be worked on

Status: Open.

#67 In XanaduAI/GradDFT;

· PabloAMC opened on Sep 18, 2023

Integration with Jax-XC

enhancementNew feature or requestNew feature or request

Status: Open.

#66 In XanaduAI/GradDFT;

· PabloAMC opened on Sep 18, 2023

 ·  

High priority featutres

Implement a less computationally demanding version of LYP

Status: Open.

#53 In XanaduAI/GradDFT;

· PabloAMC opened on Sep 13, 2023

Demonstrate parallel execution of a loss function

Status: Open.

#50 In XanaduAI/GradDFT;

· jackbaker1001 opened on Sep 12, 2023

Implement a limited number of high priority unit tests

enhancementNew feature or requestNew feature or request

Status: Open.

#13 In XanaduAI/GradDFT;

· jackbaker1001 opened on Aug 11, 2023