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Remove physical constants from aiida.common.constants #3278

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Aug 29, 2019
Merged

Remove physical constants from aiida.common.constants #3278

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16 changes: 2 additions & 14 deletions aiida/common/constants.py
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Original file line number Diff line number Diff line change
Expand Up @@ -28,21 +28,9 @@
# a migration.
AIIDA_FLOAT_PRECISION = 14

## PHYSICAL CONSTANTS BELOW HERE

bohr_to_ang = 0.52917720859 # pylint: disable=invalid-name
ang_to_m = 1.e-10 # pylint: disable=invalid-name
bohr_si = bohr_to_ang * ang_to_m # pylint: disable=invalid-name
ry_to_ev = 13.6056917253 # pylint: disable=invalid-name
ry_si = 4.35974394 / 2. * 10**(-18) # pylint: disable=invalid-name
hartree_to_ev = ry_to_ev * 2. # pylint: disable=invalid-name
timeau_to_sec = 2.418884326155573e-17 # pylint: disable=invalid-name
invcm_to_THz = 0.0299792458 # pylint: disable=invalid-name

# Element table, from NIST (http://www.nist.gov/pml/data/index.cfm)
# Retrieved in October 2014 for atomic numbers 1-103, and in May 2016
# for atomic numbers 104-112, 114 and 116. In addition, element X is
# added to support unknown elements.
# Retrieved in October 2014 for atomic numbers 1-103, and in May 2016 or atomic numbers 104-112, 114 and 116.
# In addition, element X is added to support unknown elements.
elements = { # pylint: disable=invalid-name
0: {
'mass': 1.00000,
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2 changes: 1 addition & 1 deletion aiida/orm/nodes/data/array/trajectory.py
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Expand Up @@ -739,7 +739,7 @@ def collapse_into_unit_cell(point, cell):

try:
if self.get_attribute('units|positions') in ('bohr', 'atomic'):
from aiida.common.constants import bohr_to_ang
bohr_to_ang = 0.52917720859
positions *= bohr_to_ang
except KeyError:
pass
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