Searched refs:elastic_grad (Results 1 – 2 of 2) sorted by relevance
| /dports/science/quantum-espresso/q-e-qe-6.7.0/NEB/src/ |
| H A D | path_variables.f90 | 100 elastic_grad(:), &! elastic part of the gradients variable
130 ALLOCATE( elastic_grad( dim1 ) )
150 IF ( ALLOCATED( elastic_grad ) ) DEALLOCATE( elastic_grad )
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| H A D | path_base.f90 | 74 elastic_grad, pending_image, first_last_opt
168 elastic_grad = 0.0_DP
489 USE path_variables, ONLY : pos, grad, elastic_grad, grad_pes, k, &
508 elastic_grad = tangent(:,i) * 0.5_DP * &
527 grad(:,i) = elastic_grad + grad(:,i) - &
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