GitHub - QEF/CB_miniapp: miniapp for computing band structures usin Cohen-Bergestress pseudopotentials and Quantum ESPRESSO libraries

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miniapp for computing band structures usin Cohen-Bergestress pseudopotentials and Quantum ESPRESSO libraries

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Name		Name	Last commit message	Last commit date
Latest commit History 13 Commits
CB_toy_code		CB_toy_code
FFTXlib		FFTXlib
KS_Solvers		KS_Solvers
LAXlib		LAXlib
UtilXlib		UtilXlib
clib		clib
include		include
install		install
.gitignore		.gitignore
Makefile		Makefile
README		README
configure		configure

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#How to run this:

#first configure. 
./configure

#then make dependencies
cd install; ./makedeps.sh; cd ../

#then actually make the CB toy dft code
make cb

#testing the workings of the code is currently via examples,
#not tests
cd CB_toy_code/examples
#this script tests by default tests six executables that should now be in ../../bin
#cb_cg cb_cg_gamma cb_davidson cb_davidson_gamma cb_ppcg cb_ppcg_gamma
#with serial configuration, using all the inputs in the examples directory
./run_all_examples