bash loop template
the simple use of bash
more ...the simple use of bash
more ...everything about cube file
more ...A simple example for constrained DFT with cp2k
more ...using crystal to calculate scf with lc-blyp functional
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more ...gaussian ccsd
more ...the simple use of awk and sed
more ...using lis to write a matrix instead of read from file
more ...using MPI_Allgatherv to combine arrays on different cores
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