TODO

find src -type f -iname '*.F90' -exec grep -i -A 1 '^subroutine' {} \; |awk '{if($1=="subroutine" && n!=1) {n=1;line1=$2};if(n==2) {n=0;str=$1 $2;if(str!="usemod_interface," || $1=="subroutine") print line1,"\n",$0};if(n==1) n++}'

0) Does MD escape writes correct energies in traj*mde.acf ?

1) Minhopp does not save new initial configurations in a restart run 
when posinp.xyz is manually modified. However I think this 
problem is only for iproc=0

2) There is a point in the BFGS implementation that is commented in its routine.
This point must be resolved and tested at some point.

When I want to compile Alborz:
1) ./utils/python/build_mod_interface.py
2)  make
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explanation of importing futile into Alborz:

tar -zxvf BigDFT_address/yaml-0.1.6.tar.gz
mv yaml-0.1.6 yaml

Then delete win32 and doc in directory yaml.

copy directories:
futile
jhbuild

and copy files:

Installer.py
jhbuild.py
bigdft.modules
gnome.modules

Then modify the following files to exclude building of win32 in yaml:

yaml/Makefile.am
yaml/Makefile.in
yaml/configure

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