COMCIFS · nicholasfrancia · Jul 27, 2026 · Jul 27, 2026 · Jul 27, 2026 · Jul 27, 2026
diff --git a/CHANGELOG.md b/CHANGELOG.md
@@ -1,3 +1,18 @@
+# 2026.07.27
+
+## New Features
+- Multiple data fields have been added to describe the output crystal properties. These can be classified into:
+  - Energy data fields related to variable compositions calculations.
+  - Per atom properties (forces, partial charges)
+  - Band structure, density of states and related propeties
+  - Phonons
+  - Magnetic, Mechanical and transport properties
+
+
+## Fixes
+
+- Updates and minor corrections to Markdown and CIF dictionary files.
+
 # 2026.04.24
 
 ## New Features
@@ -117,8 +132,8 @@ loop_
 
   New version:
 
-  | Group             | Data Field                    |
-  |-------------------|-------------------------------|
+  | Group             | Data Field         |
+  |-------------------|--------------------|
   | `_csp_data_block` | `class`            |
 
 - "Definition", "Constraints" and "Examples" columns changed to improved clarity.

diff --git a/Dictionaries/CSPCore/cspcore.md → Documentation/CSPCore/cspcore.md b/Dictionaries/CSPCore/cspcore.md → Documentation/CSPCore/cspcore.md
diff --git a/Dictionaries/DFT/dft.md → Documentation/DFT/dft.md b/Dictionaries/DFT/dft.md → Documentation/DFT/dft.md
diff --git a/Dictionaries/Forcefields/ff.md → Documentation/Forcefields/ff.md b/Dictionaries/Forcefields/ff.md → Documentation/Forcefields/ff.md
diff --git a/Examples/01_Org_MCPT_Minimal/ReadMe.md b/Examples/01_Org_MCPT_Minimal/ReadMe.md
@@ -19,7 +19,7 @@ The datablock (in file `csp_input.cif`) starts by introducing three identifiers
 
 - The (human-readable) chemical name `"methyl 2-aminobenzoate"` of the compound
 - A unique identifier that can be used for an internal storage or database (being target XXIX of the 7th Blind Test, we
-  used `BT-XXX`)
+  used `BT-XXIX`)
 - A datablock unique ID (`0d430939-34a3-4fc1-bf49-d04e39580fbc`).
 
 Only the latter will be used to link output structures to the input datablock.

diff --git a/Examples/02_Org_Multi_Stoich/structure_ranking_methods.cif b/Examples/02_Org_Multi_Stoich/structure_ranking_methods.cif
@@ -23,7 +23,7 @@ data_gaff
     _forcefield.long_range_electrostatic "PME"
 
     _forcefield.vdw_term                 "LJ(epsilon,sigma)"
-    _forcefield.long_range_electrostatic "LJ-PME"
+    _forcefield.long_range_vdw           "LJ-PME"
 
     _forcefield.combination_rule         "Lorentz-Berthelot"
 

diff --git a/Examples/03_Org_ROY/structure_ranking_methods.cif b/Examples/03_Org_ROY/structure_ranking_methods.cif
@@ -62,7 +62,7 @@ data_MPLAMS
     _forcefield.long_range_electrostatic "PME"
 
     _forcefield.vdw_term                 "Buckhingham"
-    _forcefield.long_range_electrostatic "LJ-PME"
+    _forcefield.long_range_vdw           "LJ-PME"
 
     _forcefield.combination_rule         "Lorentz-Berthelot"
 

diff --git a/Examples/03_Org_ROY/structures.cif b/Examples/03_Org_ROY/structures.cif
diff --git a/Examples/ReadMe.md b/Examples/ReadMe.md
@@ -15,7 +15,7 @@ The goal of these examples is to illustrate:
 
 ## Index
 
-The table below summarizes the core concept, domain, and specific dictionary fields highlighted in each self-contained
+The table below summarises the core concept, domain, and specific dictionary fields highlighted in each self-contained
 example folder.
 
 | Folder Name                                           | Primary Domain | Input Description                        | Key Input/Methodology                                                                   | Core Concepts & Dictionary Fields Highlighted                                                                                                            |