eborisch / LCModel

Copy of Stephen Provencher's released LCModel source code.

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Introduction

This repository contains a copy of the Stephen Provencher's LCModel source code package available on the LCModel home page and retrieved on 2021/05/27.

The web page indicates this is "now free software"; the license in the LCModel.f file is a BSD 3-clause license, which has been extracted to LICENSE for consistency with other software packages.

An copy of the home page as well as the documentation are included for reference.

Compilation

With a modern gfortran installed, compilation can be performed with:

gfortran -ffpe-summary=none -std=legacy -O3 LCModel.f -o LCModel

A simple Makefile has been provided, such that make will build LCModel as shown above. Using make FC=<fortran compiler> will use the specified compiler rather than gfortran.

64-bit linux binaries

The contents of the pre-compiled (by upstream) package are available in the linux_binaries branch.

About

Copy of Stephen Provencher's released LCModel source code.

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