diff --git a/source/install.rst b/source/install.rst index d49b8de22..3581dfe6a 100644 --- a/source/install.rst +++ b/source/install.rst @@ -344,7 +344,7 @@ Note TBLIS library was implemented with C++11 standard. You need at least GCC Pyberny ------- -The geometry optimizer `Pyberny `_ provides an +The geometry optimizer `Pyberny `_ provides an independent implementation that supports various geometry optimization techniques (comprising redundant internal coordinates, iterative Hessian estimate, trust region, line search, and coordinate weighing etc.). It can take diff --git a/source/interface/geomopt.rst b/source/interface/geomopt.rst index 8cb179ea9..f0ca580ea 100644 --- a/source/interface/geomopt.rst +++ b/source/interface/geomopt.rst @@ -5,7 +5,7 @@ The :mod:`geomopt` module implements geometry optimization via interfaces to `geomeTRIC `_ -and `PyBerny `_. +and `PyBerny `_. The following example shows how to optimize the structure of N\ :sub:`2`\ molecule with PyBerny:: from pyscf import gto, scf diff --git a/source/overview.rst b/source/overview.rst index a801f1882..8d29734b0 100644 --- a/source/overview.rst +++ b/source/overview.rst @@ -57,7 +57,7 @@ Features * Interface to Heat-bath Selected CI program `Dice `_ -* Interface to geometry optimizer `Pyberny `_ +* Interface to geometry optimizer `Pyberny `_ .. * Interface to `pyWannier90 `_