From efd7fab7ed23e6fe850e079488b264034262978b Mon Sep 17 00:00:00 2001
From: Anthony Scemama <scemama@irsamc.ups-tlse.fr>
Date: Fri, 12 May 2023 01:33:57 +0200
Subject: [PATCH] state_id is an index+added energy

---
 CMakeLists.txt |  2 +-
 ChangeLog      |  6 ++++++
 configure.ac   |  2 +-
 trex.org       | 26 ++++++++++++++------------
 4 files changed, 22 insertions(+), 14 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index d30e54a..d680079 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -4,7 +4,7 @@ cmake_minimum_required(VERSION 3.16)
 
 # Initialize the CMake project.
 project(Trexio
-	VERSION 2.3.2
+	VERSION 2.4.0
 	DESCRIPTION "TREX I/O library"
 	LANGUAGES C Fortran
 	)
diff --git a/ChangeLog b/ChangeLog
index 56c8f04..c5b9e36 100644
--- a/ChangeLog
+++ b/ChangeLog
@@ -1,6 +1,12 @@
 CHANGES
 =======
 
+2.4
+---
+
+- Added state/energy
+- Made state/id an index instead of an int
+
 2.3
 ---
 
diff --git a/configure.ac b/configure.ac
index 5228d29..b8f26a7 100644
--- a/configure.ac
+++ b/configure.ac
@@ -2,7 +2,7 @@
 # Process this file with autoconf to produce a configure script.
 
 AC_PREREQ([2.69])
-AC_INIT([trexio],[2.3.2],[https://github.com/TREX-CoE/trexio/issues])
+AC_INIT([trexio],[2.4.0],[https://github.com/TREX-CoE/trexio/issues])
 
 AC_CONFIG_SRCDIR([Makefile.in])
 AC_CONFIG_HEADERS([include/config.h])
diff --git a/trex.org b/trex.org
index ba901a0..101040c 100644
--- a/trex.org
+++ b/trex.org
@@ -190,13 +190,14 @@
    The ~id~ and ~current_label~ attributes need to be specified for each file.
 
    #+NAME: state
-   | Variable        | Type  | Dimensions    | Description                                                                                 |
-   |-----------------+-------+---------------+---------------------------------------------------------------------------------------------|
-   | ~num~           | ~dim~ |               | Number of states (including the ground state)                                               |
-   | ~id~            | ~int~ |               | Index of the current state (0 is ground state)                                              |
-   | ~current_label~ | ~str~ |               | Label of the current state                                                                  |
-   | ~label~         | ~str~ | ~(state.num)~ | Labels of all states                                                                        |
-   | ~file_name~     | ~str~ | ~(state.num)~ | Names of the TREXIO files linked to the current one (i.e. containing data for other states) |
+   | Variable        | Type    | Dimensions    | Description                                                                                 |
+   |-----------------+---------+---------------+---------------------------------------------------------------------------------------------|
+   | ~num~           | ~dim~   |               | Number of states (including the ground state)                                               |
+   | ~id~            | ~index~ |               | Index of the current state (0 is ground state)                                              |
+   | ~energy~        | ~float~ |               | Energy of the current state                                                                 |
+   | ~current_label~ | ~str~   |               | Label of the current state                                                                  |
+   | ~label~         | ~str~   | ~(state.num)~ | Labels of all states                                                                        |
+   | ~file_name~     | ~str~   | ~(state.num)~ | Names of the TREXIO files linked to the current one (i.e. containing data for other states) |
 
    #+CALL: json(data=state, title="state")
 
@@ -204,11 +205,12 @@
    :results:
    #+begin_src python :tangle trex.json
        "state": {
-                     "num" : [ "dim", []              ]
-         ,            "id" : [ "int", []              ]
-         , "current_label" : [ "str", []              ]
-         ,         "label" : [ "str", [ "state.num" ] ]
-         ,     "file_name" : [ "str", [ "state.num" ] ]
+                     "num" : [ "dim"  , []              ]
+         ,            "id" : [ "index", []              ]
+         ,        "energy" : [ "float", []              ]
+         , "current_label" : [ "str"  , []              ]
+         ,         "label" : [ "str"  , [ "state.num" ] ]
+         ,     "file_name" : [ "str"  , [ "state.num" ] ]
        } ,
    #+end_src
    :end: