mirror of
https://github.com/LCPQ/DEHam
synced 2024-12-22 04:13:44 +01:00
now trying with indentation
This commit is contained in:
parent
47e58159f2
commit
83e44e9258
49
README.md
49
README.md
@ -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
|
||||||
|
```
|
||||||
|
Loading…
Reference in New Issue
Block a user