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Commit Date  
[r525] by paulatz

Removed dependency on powell

2020-12-02 11:00:53 Tree
[r524] by paulatz

bug fix, thank to Truong for reporting

2020-11-25 13:22:55 Tree
[r523] by paulatz

Added a nfar option to the d3_q2r input. When set to zero, it produces non-recentered force constants which are very similar to the ones from standard q2r, except that:
1. The cell index is R in crystal coordinates (in q2r it is R+(111))
2. The order of the Rs is different
3. Before every block of R there is the number of vectors in the block

2020-10-06 07:30:15 Tree
[r522] by paulatz

Removed obsolete stuff

2020-10-02 07:51:59 Tree
[r521] by paulatz

Added support for new xmltools with i/o of complex tensors

2020-10-01 12:54:28 Tree
[r520] by paulatz

remove iotk in/out of matrices

2020-09-21 12:31:17 Tree
[r519] by paulatz

Removed dependency on iotk

2020-09-21 12:30:46 Tree
[r518] by paulatz

Removed dependence on iotk and a few fixes here and there

2020-09-17 12:25:23 Tree
[r517] by paulatz

backup

2020-09-17 12:17:11 Tree
[r516] by paulatz

Subroutine to write d3matrix using fox (reading still to be done)

2020-09-17 10:07:43 Tree
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