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now trying with indentation

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vijay gopal chilkuri 2016-12-20 12:29:39 +01:00
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README.md
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@ -14,15 +14,17 @@ Double Exchange Hamiltonian: Complete Version
------------ ------------
1. Export environment variables for PETSc and SLEPc 1. Export environment variables for PETSc and SLEPc
```shell
export PETSC_DIR=${PATH_TO_PETSC_INSTALLATION} ```shell
export SLEPC_DIR=${PATH_TO_SLEPC_INSTALLATION} export PETSC_DIR=${PATH_TO_PETSC_INSTALLATION}
``` export SLEPC_DIR=${PATH_TO_SLEPC_INSTALLATION}
```
2. Make the executable 2. Make the executable
```shell
make ex1 ```shell
``` make ex1
```
3. Using DEHam 3. Using DEHam
--------------- ---------------
@ -31,21 +33,22 @@ make ex1
has the topology of the Hamiltonian and the various parameters has the topology of the Hamiltonian and the various parameters
as explained below in a sample inputfile: as explained below in a sample inputfile:
```python ```python
140 # The total number of determinants 140 # The total number of determinants
7 # The largest number of non-zero elements per row 7 # The largest number of non-zero elements per row
2 # The number of processors used in parallel 2 # The number of processors used in parallel
1 # The number of holes 1 # The number of holes
0 # The isz (ms-1/2) value 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 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 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) 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 # The three types of links this line gives J, K
.1430,-0.20,0.0000 # .1430,-0.20,0.0000 #
-1.00,0.0,0.00 # This line gives t -1.00,0.0,0.00 # This line gives t
``` ```
2. running DEHam 2. running DEHam
```shell
mpiexec -n [nprocs] ./ex1 inpfile ```shell
``` mpiexec -n [nprocs] ./ex1 inpfile
```