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