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Commit Date  
[r480] by paulatz

An mpi barrier woould cause the code to stop if print_percent_wall is called inside a loop when the number of q-points is not a multiple of the number of CPUs

2019-06-03 08:35:17 Tree
[r479] by paulatz

File was missing, neutrons subroutines moved here

2019-06-03 08:33:40 Tree
[r478] by paulatz

QHA example, reference and testing still required

2019-05-06 20:36:17 Tree
[r477] by paulatz

relatively decent QHA implementation added, documentation still lacking. Fun to use in conjunction with d3_db.x

2019-05-06 20:26:06 Tree
[r476] by paulatz

The EOS from PW/tools/ev.f0 converted to library and interfaced with the Powell minimization (grabbed from the internet and made into a library as well). The original very simple minimization still exists

2019-05-06 20:18:50 Tree
[r475] by paulatz

Dynbubble code polished a bit and removed the use of Bubble_sort in favour of quicksort

2019-05-06 20:16:39 Tree
[r474] by paulatz

Oops

2019-04-29 07:26:19 Tree
[r473] by paulatz

Updated Doc

2019-04-29 07:17:55 Tree
[r472] by paulatz

Simple quasi-harmonic implementation, still in progress

2019-04-28 10:08:03 Tree
[r471] by paulatz

fc2mat2R now can be used for more than 33 atoms

import_phononpy split in a code for VASP generated force constant file (untested) and a QE one (tested)

2019-04-04 09:28:28 Tree
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