MAGEMin v1.5.4

- Added anhydrous alkaline-silicate melt model (Weller et al., 2024)
- Added upper mantle to uppermost mantle database (Holland et al., 2013)
- corrected computation of apfu for pure phases
- changed simplex threshold from 1e10 to 0 -> fixes issues when dealing with highly reduced systems
- corrected mistake in handling pseudocompounds for the metabasite database
- added several pseudocompounds to improve quality of phase equilibrium for igneous and alkaline database

Makefile

@@ -40,19 +40,23 @@ SOURCES=src/MAGEMin.c 							\
 		src/TC_database/TC_init_database.c		\
 		src/TC_database/TC_endmembers.c			\
 		src/TC_database/TC_gem_function.c		\
+		src/SB_database/SB_init_database.c		\
 		src/SB_database/SB_endmembers.c			\
-		src/SB_database/SB_gem_function.c			\
+		src/SB_database/SB_gem_function.c		\
+		src/SB_database/sb_gss_init_function.c	\
 		src/toolkit.c							\
 		src/io_function.c						\
 		src/gem_function.c 						\
-		src/TC_database/gss_init_function.c		\
-		src/TC_database/gss_function.c			\
+		src/TC_database/tc_gss_init_function.c	\
+		src/TC_database/tc_gss_function.c		\
 		src/TC_database/NLopt_opt_function.c 	\
 		src/TC_database/objective_functions.c	\
 		src/TC_database/SS_xeos_PC_mp.c			\
 		src/TC_database/SS_xeos_PC_mb.c			\
 		src/TC_database/SS_xeos_PC_ig.c			\
+		src/TC_database/SS_xeos_PC_igad.c		\
 		src/TC_database/SS_xeos_PC_um.c			\
+		src/TC_database/SS_xeos_PC_mtl.c		\
 		src/pp_min_function.c 					\
 		src/ss_min_function.c 					\
 		src/simplex_levelling.c 				\

Project.toml

@@ -1,7 +1,7 @@
 name = "MAGEMin_C"
 uuid = "e5d170eb-415a-4524-987b-12f1bce1ddab"
 authors = ["Boris Kaus <[email protected]> & Nicolas Riel <[email protected]>"]
-version = "1.5.3"
+version = "1.5.4"
 
 [deps]
 BenchmarkTools = "6e4b80f9-dd63-53aa-95a3-0cdb28fa8baf"

doc_raw/index.rst

@@ -10,7 +10,7 @@
 
 |
 
-**MAGEMin v1.5.3**
+**MAGEMin v1.5.4**
 ==================
 
 MAGEMin (Mineral Assemblage Gibbs Energy Minimization) is a parallel C library callable from any petrological/geodynamic tool. For a given set of pressure, temperature and bulk-rock composition MAGEMin uses a combination of linear programming, extended Partitioning Gibbs free Energy and gradient-based local minimization to compute the most stable mineral assemblage     

docs/index.html

@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="generator" content="Docutils 0.17.1: http://docutils.sourceforge.net/" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>MAGEMin v1.5.3 &mdash; MAGEMin 2022 documentation</title>
+  <title>MAGEMin v1.5.4 &mdash; MAGEMin 2022 documentation</title>
       <link rel="stylesheet" href="_static/pygments.css" type="text/css" />
       <link rel="stylesheet" href="_static/css/theme.css" type="text/css" />
       <link rel="stylesheet" href="_static/css/custom.css" type="text/css" />
@@ -247,7 +247,7 @@
           <div role="navigation" aria-label="Page navigation">
   <ul class="wy-breadcrumbs">
       <li><a href="#" class="icon icon-home"></a> &raquo;</li>
-      <li><strong>MAGEMin v1.5.3</strong></li>
+      <li><strong>MAGEMin v1.5.4</strong></li>
       <li class="wy-breadcrumbs-aside">
             <a href="_sources/index.rst.txt" rel="nofollow"> View page source</a>
       </li>
@@ -263,7 +263,7 @@
 <div class="line"><br /></div>
 </div>
 <section id="magemin-v1-5-0">
-<h1><strong>MAGEMin v1.5.3</strong><a class="headerlink" href="#magemin-v1-5-0" title="Permalink to this headline"></a></h1>
+<h1><strong>MAGEMin v1.5.4</strong><a class="headerlink" href="#magemin-v1-5-0" title="Permalink to this headline"></a></h1>
 <p>MAGEMin (Mineral Assemblage Gibbs Energy Minimization) is a parallel C library callable from any petrological/geodynamic tool. For a given set of pressure, temperature and bulk-rock composition MAGEMin uses a combination of linear programming, extended Partitioning Gibbs free Energy and gradient-based local minimization to compute the most stable mineral assemblage</p>
 <p>A full description of the minimization approach used in MAGEMin is given in:</p>
 <p>Riel, N., Kaus, B. J. P., Green, E. C. R., &amp; Berlie, N. (2022). MAGEMin, an efficient Gibbs energy minimizer: Application to igneous systems. Geochemistry, Geophysics, Geosystems, 23, e2022GC010427. <a class="reference external" href="https://doi.org/10.1029/2022GC010427">https://doi.org/10.1029/2022GC010427</a></p>

docs/stp.html

@@ -20,7 +20,7 @@
     <link rel="index" title="Index" href="genindex.html" />
     <link rel="search" title="Search" href="search.html" />
     <link rel="next" title="External libraries" href="stp/Linux.html" />
-    <link rel="prev" title="MAGEMin v1.5.3" href="index.html" /> 
+    <link rel="prev" title="MAGEMin v1.5.4" href="index.html" /> 
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 <body class="wy-body-for-nav"> 
@@ -292,7 +292,7 @@ <h1>Optional (developers)<a class="headerlink" href="#optional-developers" title
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           <footer><div class="rst-footer-buttons" role="navigation" aria-label="Footer">
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+        <a href="index.html" class="btn btn-neutral float-left" title="MAGEMin v1.5.4" accesskey="p" rel="prev"><span class="fa fa-arrow-circle-left" aria-hidden="true"></span> Previous</a>
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