Input file and repeated tags

If in the input file, the same tag appears more than once, the code will apply the value that appears as last. For example:

temperature             0.01     # requested temperature in units of eF, default T=0
energyconveps           1.0e-6   # energy convergence epsilon
npartconveps            1.0e+6   # number of particles convergence epsilon
linearmixing            0.5      # mixing parameter (alpha) for linear mixing, default=0.5
muchange                0.0      # coefficient for changing chemical potential, default=0.5
mumaxchange             0.05     # maximal amount that chemical potential can change between iterations, in units of Fermi energy
maxiters                200     # maximum number of iterations, default=10000
temperature             0.02      # ... AND AGAIN TEMPERATURE ...
referencekF             1.0      # reference kF, otherwise max density will be used to calculate it automatically as kF=(3pi^2 n)^(1/3)
aBdG                    -0.9     # scattering length for BDG mode, used only when FUNCTIONAL==BDG
temperature             0.03      # ... AND AGAIN TEMPERATURE ... THIS ONE WILL BE USES IN CALCS! 

Here, the temperature is provided three times, and finally, the value 0.03 will be used in the calculation.

Executing campaign of calculations

A common situation is when we want to execute a series of calculations for various input parameters. For example, let us consider the case where we want to repeat the same calculations for temperatures 0.01, 0.02, 0.03. We can do it within the single script as follows:

# input.txt contains common settings for all runs

# T=0.01
echo "temperature 0.01" >> input.txt
echo "outprefix T0.01" >> input.txt
mpirun -np 20 ./st-wslda-2d input.txt

# T=0.02
echo "temperature 0.02" >> input.txt
echo "outprefix T0.02" >> input.txt
# I can use previous result as a starting point
echo "inprefix T0.01" >> input.txt
echo "inittype 5" >> input.txt
mpirun -np 20 ./st-wslda-2d input.txt

# T=0.03
echo "temperature 0.03" >> input.txt
echo "outprefix T0.03" >> input.txt
# I can use previous result as a starting point
echo "inprefix T0.02" >> input.txt
echo "inittype 5" >> input.txt
mpirun -np 20 ./st-wslda-2d input.txt