From b15e9bef0349f62bcd3da378b5b625e539ebc05c Mon Sep 17 00:00:00 2001 From: harrisonlabollita Date: Tue, 16 Nov 2021 06:59:32 -0700 Subject: [PATCH] docstring fro init_dmftpr --- bin/init_dmftpr.in | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/bin/init_dmftpr.in b/bin/init_dmftpr.in index 4f6df735..ec572315 100755 --- a/bin/init_dmftpr.in +++ b/bin/init_dmftpr.in @@ -3,6 +3,14 @@ import glob, sys, os from numpy import array def write_indmftpr(): + """ + Usage: init_dmftpr + + **case.struct file is required for this script.** + + An interactive script to generate the input file (case.indmftpr) for + the dmftproj program. + """ orbitals = {"s" : [1, 0, 0, 0], "p" : [0, 1, 0, 0], "d" : [0, 0, 1, 0],