From 7298c1ad4ab7611a1a3f42748b69a521da203b4e Mon Sep 17 00:00:00 2001 From: Adrian Del Maestro Date: Thu, 26 Oct 2023 11:35:15 -0400 Subject: [PATCH] Update README.md Added some bash formatting. --- README.md | 41 +++++++++++++++++++++++++---------------- 1 file changed, 25 insertions(+), 16 deletions(-) diff --git a/README.md b/README.md index 0fc34ce..635cce7 100644 --- a/README.md +++ b/README.md @@ -13,22 +13,31 @@ This repository includes data files, scripts, codes and analysis used to generat The data in this project is generated using two different methods: 1. The data for the interacting BHZ model was generated via DMRG++ software developed by Dr. Gonzalo Alvarez. Here we provide detailed instructions on how to reproduce the DMRG results used in the main text. The results reported in this work were obtained with the DMRG++ version 6.05 and PsimagLite version 3.04. The documentation for the same is provided [here](https://github.com/g1257/dmrgpp), for compilation follow the steps below: * Dependencies include the [BOOST](https://www.boost.org/), [HDF5](https://docs.hdfgroup.org/archive/support/HDF5/doc1.8/cpplus_RM/index.html) and [OpenBLAS](https://www.openblas.net/) libraries -* git clone https://code.ornl.gov/gonzalo_3/PsimagLite.git -* cd PsimagLite/lib -* perl configure.pl -* make -* cd ../../ -* git clone https://code.ornl.gov/gonzalo_3/dmrgpp.git -* cd dmrgpp/src -* perl configure.pl -* make -This will generate 'dmrg' and 'observe' executables. Run the dmrg executable first to save the ground state and then use the observe executable to evaluate all the necessary observables. See the steps below: -* ./dmrg -f input.inp -* ./observe -f input.inp ss,nn >> ss_nn.dat (this will provide all the spin-spin and charge-charge corrlations) -* ./observe -f input.inp '' >>nl_0.dat (this will provide the local charge density for orbital-0 with spin-up. Similarly, one can observe the charge density for spin-down by replacing n?0 with n?1. For spin-up and spin-dn charge density of orbital-1 do observe n?2 and n?3.) - -To generate input file, go to the 'input_files' folder and run the following command : -* python Create_input_dmrg.py M_val + +```bash +git clone https://code.ornl.gov/gonzalo_3/PsimagLite.git +cd PsimagLite/lib +perl configure.pl +make +cd ../../ +git clone https://code.ornl.gov/gonzalo_3/dmrgpp.git +cd dmrgpp/src +perl configure.pl +make +``` + +This will generate `dmrg` and `observe` executables. Run the dmrg executable first to save the ground state and then use the observe executable to evaluate all the necessary observables. See the steps below: + +```bash +./dmrg -f input.inp +./observe -f input.inp ss,nn >> ss_nn.dat (this will provide all the spin-spin and charge-charge corrlations) +./observe -f input.inp '' >>nl_0.dat +``` + +This will provide the local charge density for orbital-0 with spin-up. Similarly, one can observe the charge density for spin-down by replacing n?0 with n?1. For spin-up and spin-dn charge density of orbital-1 do `observe n?2` and `n?3`.) + +To generate input file, go to the 'input_files' folder and run the following command : + python Create_input_dmrg.py M_val 2. The data for the non-interacting BHZ model was generated via exact diagonalization. The code can be found [here](https://github.com/DelMaestroGroup/Exact_Diagonalization_BHZ). Detail instructions are provided in this repo regarding compilations, executions and more.