1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
|
#!/bin/bash
FeffRoot=${0/bin\/f85e/src} # /home/bruce/git/feff85exafs/src
logfile=f85e.log
module() {
count=$((count+1))
if [ $1 == "path" ]; then
mod="pathfinder"
else
mod=$1
fi
folder=$(echo "$1" | tr '[:lower:]' '[:upper:]')
echo ""
echo "======= running module $mod ====================================================" | tee -a $logfile
$FeffRoot/$folder/$mod 2>&1 | tee -a $logfile
}
echo "Beginning feff8l calculation" | tee $logfile
module "rdinp"
module "pot"
module "xsph"
module "path"
module "genfmt"
module "ff2x"
rm -f log*.dat
|
