Atom style charge

[sudarsan-surendralal]

Fixing some bugs with LAMMPS atoms style charge

[jan-janssen]

======================================================================
[1598](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1598)
FAIL: test_structure_charge (lammps.test_base.TestLammps)
[1599](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1599)
----------------------------------------------------------------------
[1600](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1600)
Traceback (most recent call last):
[1601](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1601)
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/tests/lammps/test_base.py", line 106, in test_structure_charge
[1602](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1602)
    self.assertEqual(
[1603](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1603)
AssertionError: Lists differ: ['Sta[198 chars]'1 1 0.000000 0.000000000000000 0.000000000000[22 chars], ''] != ['Sta[198 chars]'1 1 2.000000 0.000000000000000 0.000000000000[22 chars], '']
[1604](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1604)

[1605](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1605)
First differing element 14:
[1606](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1606)
'1 1 0.000000 0.000000000000000 0.000000000000000 0.000000000000000'
[1607](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1607)
'1 1 2.000000 0.000000000000000 0.000000000000000 0.000000000000000'
[1608](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1608)

[1609](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1609)
  ['Start File for LAMMPS',
[1610](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1610)
   '1 atoms',
[1611](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1611)
   '1 atom types',
[1612](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1612)
   '',
[1613](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1613)
   '0. 1.000000000000000 xlo xhi',
[1614](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1614)
   '0. 1.000000000000000 ylo yhi',
[1615](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1615)
   '0. 1.000000000000000 zlo zhi',
[1616](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1616)
   '',
[1617](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1617)
   'Masses',
[1618](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1618)
   '',
[1619](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1619)
   '1 55.845000',
[1620](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1620)
   '',
[1621](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1621)
   'Atoms',
[1622](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1622)
   '',
[1623](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1623)
-  '1 1 0.000000 0.000000000000000 0.000000000000000 0.000000000000000',
[1624](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1624)
?       ^
[1625](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1625)

[1626](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1626)
+  '1 1 2.000000 0.000000000000000 0.000000000000000 0.000000000000000',
[1627](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1627)
?       ^
[1628](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1628)

[1629](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1629)
   '']
[1630](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1630)

[1631](https://github.com/pyiron/pyiron_atomistics/runs/6030612062?check_suite_focus=true#step:5:1631)
----------------------------------------------------------------------

[coveralls]

Pull Request Test Coverage Report for Build 2218801745

• 37 of 40 (92.5%) changed or added relevant lines in 2 files are covered.
• 63 unchanged lines in 1 file lost coverage.
• Overall coverage decreased (-0.03%) to 70.596%

---

Changes Missing Coverage	Covered Lines	Changed/Added Lines	%
pyiron_atomistics/lammps/base.py	1	2	50.0%
pyiron_atomistics/lammps/structure.py	36	38	94.74%

Files with Coverage Reduction	New Missed Lines	%
pyiron_atomistics/atomistics/master/phonopy.py	63	46.22%

Totals
Change from base Build 2169438863:	-0.03%
Covered Lines:	11930
Relevant Lines:	16899

---

💛 - Coveralls

[sudarsan-surendralal]

I'm merging this since this is a necessary bugfix and the tests now seem to pass