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When installing pyne in a docker image and then using pyne to define some materials to be used in subsequent neutron transport codes, there are some missing isotopes
To Reproduce
Create the material with the following script:
#! /usr/bin/python
#
#
import os
from pyne import material
from pyne.material import Material, MultiMaterial
from pyne.material_library import MaterialLibrary
#
# reference: maybe JawadORNL_2005 ???
# M. Jawad et al. , "Development of a New Class of Fe-3Cr-W(V) Ferritic Steels for Industrial Process Applications", ORNL/TM-2005/82, 2005. https://doi.org/10.2172/838517
def Cr3FS_mat() :
nucvec = {60000:0.1, 140000:0.14, 230000:0.25, 240000:3.0, 250000:0.5, 260000:93.01, 740000:3.0}
Cr3FS = Material(nucvec)
Cr3FS.density = 7.891 # test rho=7.891 instead of 7.89
Cr3FS=Cr3FS.expand_elements()
Cr3FS.metadata['citation']='JawadORNL_2005 and ???'
return Cr3FS
# --------------------------------------------------------
def main():
# create material library object
mat_lib = MaterialLibrary()
print( "\n Creating Cr3FS...")
#
mat_lib['Cr3FS']=Cr3FS_mat()
#
# write material library
mat_lib.write_hdf5("Cr3FSmatl.h5") # don't set datapath,nucpath...will be pyne default values
print("All done!")
if __name__ == "__main__":
main()
Expected Behavior
The steel defined by this script should contain all the isotopes listed on the left column but is missing some as indicated by the right column in the table below:
Describe the Bug
When installing pyne in a docker image and then using pyne to define some materials to be used in subsequent neutron transport codes, there are some missing isotopes
To Reproduce
Create the material with the following script:
Expected Behavior
The steel defined by this script should contain all the isotopes listed on the left column but is missing some as indicated by the right column in the table below:
mcnpAtomfrac format (same results in all formats)
C name: Cr3FS C name: Cr3FS
C density = 7.89100 C density = 7.89100
m15 m15
6012 3.9142e-04 6012 4.1585e-04
6013 4.2335e-06 6013 4.4978e-06
14028 2.1846e-04 14028 2.3210e-04
14029 1.1098e-05 14029 1.1791e-05
14030 7.3243e-06 14030 7.7816e-06
23050 5.8303e-07 23050 6.1943e-07
23051 2.3263e-04 23051 2.4715e-04
24050 1.1913e-04
24052 2.2973e-03 24052 2.4407e-03
24053 2.6050e-04 24053 2.7676e-04
24054 6.4843e-05 24054 6.8891e-05
25055 4.3249e-04
26054 4.6261e-03
26056 7.2619e-02 26056 7.7153e-02
26057 1.6771e-03 26057 1.7818e-03
26058 2.2319e-04 26058 2.3712e-04
74180 9.3055e-07 74180 9.8865e-07
74182 2.0550e-04 74182 2.1833e-04
74183 1.1097e-04 74183 1.1790e-04
74184 2.3760e-04 74184 2.5243e-04
74186 2.2046e-04 74186 2.3423e-04
Screenshots or Code Snippets
See above table
Please complete the following information regarding your system:
OS
Description: Ubuntu 18.04.5 LTS
Release: 18.04
Codename: bionic
docker package installed docker-ce_20.10.6
docker image OS
Debian 11.7
pyne installed with ubuntu.sh install script
Additional Context
Problem solved with a new version of docker docker-ce_24.0.2
Perhaps we can add a test to catch these type of issues.
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