18 lines
230 B
Bash
Executable File
18 lines
230 B
Bash
Executable File
#!/bin/bash
|
|
|
|
norbitals=20
|
|
nelectrons=4
|
|
xcut=10.0
|
|
|
|
if [ -f "input" ]; then
|
|
rm "input"
|
|
fi
|
|
echo "$nelectrons $norbitals" > input
|
|
../determinants/determinants.x < input
|
|
rm "input"
|
|
|
|
for i in {1..6}
|
|
do
|
|
./compute_NPE.pl $i $xcut
|
|
done
|