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Rewrite the _atom_type.radius_contact evaluation method as a definiti…
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…on method. (#394)
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vaitkus committed May 16, 2023
1 parent fc91d02 commit c142e79
Showing 1 changed file with 8 additions and 5 deletions.
13 changes: 8 additions & 5 deletions cif_core.dic
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ data_CORE_DIC
_dictionary.title CORE_DIC
_dictionary.class Instance
_dictionary.version 3.3.0
_dictionary.date 2023-04-12
_dictionary.date 2023-05-14
_dictionary.uri
https://raw.githubusercontent.com/COMCIFS/cif_core/master/cif_core.dic
_dictionary.ddl_conformance 4.1.0
Expand Down Expand Up @@ -24058,10 +24058,10 @@ save_atom_type.radius_contact
_type.contents Real
_enumeration.range 0.0:5.0
_units.code angstroms
_method.purpose Evaluation
_method.purpose Definition
_method.expression
;
_atom_type.radius_contact = _atom_type.radius_bond + 1.25
_enumeration.default = _atom_type.radius_bond + 1.25
;

save_
Expand Down Expand Up @@ -25389,7 +25389,7 @@ save_refine_ls.f_calc_precision

_definition.id '_refine_ls.F_calc_precision'
_alias.definition_id '_refine_ls_F_calc_precision'
_definition.update 2013-01-21
_definition.update 2023-05-14
_description.text
;
Estimate of the precision resulting from the numerical
Expand Down Expand Up @@ -27143,8 +27143,11 @@ save_
Changed the purpose of the _diffrn_radiation_wavelength.id data item
from 'Encode' to 'Key'.
;
3.3.0 2023-04-12
3.3.0 2023-05-14
;
# Please update the date above and describe the change below until
# ready for the next release

Rewrote the _atom_type.radius_contact evaluation method as a definition
method.
;

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