From d84415ea1792180f7a26b7d9fadfa46d07677b97 Mon Sep 17 00:00:00 2001 From: Sambit Das Date: Thu, 11 Apr 2024 13:45:32 -0400 Subject: [PATCH] minor typo fix --- doc/manual/parameters.tex | 2 +- utils/dftParameters.cc | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/doc/manual/parameters.tex b/doc/manual/parameters.tex index 61c57ceaa..cefe13b82 100644 --- a/doc/manual/parameters.tex +++ b/doc/manual/parameters.tex @@ -552,7 +552,7 @@ \subsection{Parameters in section \tt DFT functional parameters} {\it Default:} 0 -{\it Description:} [Standard] Net charge of the system in Hartree units, positive quantity implies addition of electrons. In case of non-periodic boundary conditions, this capability is implemented using multipole Dirichlet inhomogeneous boundary conditions for the electrostatics. In case of periodic and semi-periodic conditions a uniform background charge is used to create a neutral system. +{\it Description:} [Standard] Net charge of the system in atomic units, positive quantity implies addition of electrons. In case of non-periodic boundary conditions, this capability is implemented using multipole Dirichlet inhomogeneous boundary conditions for the electrostatics. In case of periodic and semi-periodic conditions a uniform background charge is used to create a neutral system. {\it Possible values:} A floating point number $v$ such that $-\text{MAX\_DOUBLE} \leq v \leq \text{MAX\_DOUBLE}$ diff --git a/utils/dftParameters.cc b/utils/dftParameters.cc index 87a30789d..51b32a929 100644 --- a/utils/dftParameters.cc +++ b/utils/dftParameters.cc @@ -652,7 +652,7 @@ namespace dftfe "NET CHARGE", "0.0", dealii::Patterns::Double(), - "[Standard] Net charge of the system in Hartree units, positive quantity implies addition of electrons. In case of non-periodic boundary conditions, this capability is implemented using multipole Dirichlet inhomogeneous boundary conditions for the electrostatics. In case of periodic and semi-periodic conditions a uniform background charge is used to create a neutral system."); + "[Standard] Net charge of the system in atomic units, positive quantity implies addition of electrons. In case of non-periodic boundary conditions, this capability is implemented using multipole Dirichlet inhomogeneous boundary conditions for the electrostatics. In case of periodic and semi-periodic conditions a uniform background charge is used to create a neutral system."); prm.declare_entry( "SPIN POLARIZATION",