mirror of https://gitlab.com/QEF/q-e.git
22 lines
396 B
Bash
Executable File
22 lines
396 B
Bash
Executable File
#!/bin/bash
|
|
|
|
PWDIR='../../../..'
|
|
work=./WORK
|
|
. $PWDIR/examples/environment_variables
|
|
BIN_DIR=$PWDIR/bin
|
|
|
|
mkdir $work >& /dev/null
|
|
\rm -f $work/* >& /dev/null
|
|
mkdir PSEUDOPOTENTIALS >& /dev/null
|
|
|
|
ld1_command="$PARA_PREFIX $BIN_DIR/ld1.x $PARA_POSTFIX"
|
|
|
|
echo "ld1_command =" $ld1_command
|
|
|
|
for atom in *.in ; do
|
|
$ld1_command < $atom > $work/$atom.out
|
|
done
|
|
|
|
mv *.UPF PSEUDOPOTENTIALS
|
|
\rm -f ld1*
|