diff --git a/README.md b/README.md index 3db3899..af9e9c5 100644 --- a/README.md +++ b/README.md @@ -14,15 +14,17 @@ Double Exchange Hamiltonian: Complete Version ------------ 1. Export environment variables for PETSc and SLEPc -```shell -export PETSC_DIR=${PATH_TO_PETSC_INSTALLATION} -export SLEPC_DIR=${PATH_TO_SLEPC_INSTALLATION} -``` + + ```shell + export PETSC_DIR=${PATH_TO_PETSC_INSTALLATION} + export SLEPC_DIR=${PATH_TO_SLEPC_INSTALLATION} + ``` 2. Make the executable -```shell -make ex1 -``` + + ```shell + make ex1 + ``` 3. Using DEHam --------------- @@ -31,21 +33,22 @@ make ex1 has the topology of the Hamiltonian and the various parameters as explained below in a sample inputfile: -```python -140 # The total number of determinants -7 # The largest number of non-zero elements per row -2 # The number of processors used in parallel -1 # The number of holes -0 # The isz (ms-1/2) value -1,2,3,1,2,3,4,5,6,7 # The topology of the system is specified here -2,3,4,8,7,6,5,6,7,8 # first and second line contain the two sites linked -1,1,1,2,2,2,2,3,3,3 # third line contains the type of link (1 for t, J 2 for K and 3 for none) -.1430,-0.20,0.0000 # The three types of links this line gives J, K -.1430,-0.20,0.0000 # --1.00,0.0,0.00 # This line gives t -``` + ```python + 140 # The total number of determinants + 7 # The largest number of non-zero elements per row + 2 # The number of processors used in parallel + 1 # The number of holes + 0 # The isz (ms-1/2) value + 1,2,3,1,2,3,4,5,6,7 # The topology of the system is specified here + 2,3,4,8,7,6,5,6,7,8 # first and second line contain the two sites linked + 1,1,1,2,2,2,2,3,3,3 # third line contains the type of link (1 for t, J 2 for K and 3 for none) + .1430,-0.20,0.0000 # The three types of links this line gives J, K + .1430,-0.20,0.0000 # + -1.00,0.0,0.00 # This line gives t + ``` 2. running DEHam -```shell -mpiexec -n [nprocs] ./ex1 inpfile -``` + + ```shell + mpiexec -n [nprocs] ./ex1 inpfile + ```