mirror of https://github.com/QMCPACK/qmcpack.git
17 lines
767 B
Bash
Executable File
17 lines
767 B
Bash
Executable File
#!/usr/bin/env bash
|
|
|
|
echo "========================================================================================"
|
|
echo "First run : qmc_short.s001.scalar.dat"
|
|
cat qmc_short.s001.scalar.dat
|
|
|
|
echo "========================================================================================"
|
|
echo "Restart run : qmc_short.s002.scalar.dat"
|
|
cat qmc_short.s002.scalar.dat
|
|
|
|
echo "========================================================================================"
|
|
echo "comparing the Kinetic ElecElec IonIon LocalECP up to the 7th digit after the decimal"
|
|
|
|
sed "/#/d" qmc_short.s001.scalar.dat | awk '{printf("%.7e %.7e %.7e %.7e\n",$5,$6,$7,$8)}' > s001
|
|
sed "/#/d" qmc_short.s002.scalar.dat | awk '{printf("%.7e %.7e %.7e %.7e\n",$5,$6,$7,$8)}' > s002
|
|
diff s001 s002
|