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Code Commit Log


Commit Date  
[r265] by paulatz

As previous

 2017-06-12 09:06:55 Tree
[r264] by paulatz

Saving linewidth to file when doing SMA calculation is now optional (and not the default)

 2017-06-12 09:06:40 Tree
[r263] by paulatz

Printing sum rule timers

 2017-06-12 09:06:03 Tree
[r262] by paulatz

Some updates to kepe up with the developement version of QE, module changes, new "read_rho" interface

Dependencies updated accordingly

 2017-06-12 08:51:06 Tree
[r261] by paulatz

Bug fix: the second derivative of PZ fucntiona lwas always used, instead of the correct one.

Impact:
* if you where doing a LDA with PZ functional, no problem
* if you have been using PBE, the difference is very likely minuscule
* with any otehr functional, there is a possibility of huge difference, better repeast the D3 calculation

 2017-06-12 08:48:53 Tree
[r260] by paulatz

Name of executables now include d3_, which allows for "make install", also linking made a bit more resistant to different name of directory

 2017-05-10 13:17:19 Tree
[r259] by paulatz

Makefile got garbled because of conflicting commits, fixed

 2017-05-10 09:22:08 Tree
[r258] by paulatz

Better check

 2017-05-10 09:20:22 Tree
[r257] by paulatz

Missing deallocation

 2017-05-10 08:37:26 Tree
[r256] by paulatz

better output format

 2017-05-09 16:04:08 Tree
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