[CHNOSZ-commits] r511 - in pkg/CHNOSZ: . inst inst/extdata/OBIGT inst/extdata/thermo

noreply at r-forge.r-project.org noreply at r-forge.r-project.org
Thu Oct 24 05:32:38 CEST 2019


Author: jedick
Date: 2019-10-24 05:32:37 +0200 (Thu, 24 Oct 2019)
New Revision: 511

Modified:
   pkg/CHNOSZ/DESCRIPTION
   pkg/CHNOSZ/inst/NEWS
   pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv
   pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv.xz
   pkg/CHNOSZ/inst/extdata/thermo/stoich.csv.xz
Log:
OBIGT: move artinite and azurite from SUPCRT92 back to default database


Modified: pkg/CHNOSZ/DESCRIPTION
===================================================================
--- pkg/CHNOSZ/DESCRIPTION	2019-10-24 03:18:25 UTC (rev 510)
+++ pkg/CHNOSZ/DESCRIPTION	2019-10-24 03:32:37 UTC (rev 511)
@@ -1,6 +1,6 @@
 Date: 2019-10-24
 Package: CHNOSZ
-Version: 1.3.3-7
+Version: 1.3.3-8
 Title: Thermodynamic Calculations and Diagrams for Geochemistry
 Authors at R: c(
     person("Jeffrey", "Dick", , "j3ffdick at gmail.com", role = c("aut", "cre"),

Modified: pkg/CHNOSZ/inst/NEWS
===================================================================
--- pkg/CHNOSZ/inst/NEWS	2019-10-24 03:18:25 UTC (rev 510)
+++ pkg/CHNOSZ/inst/NEWS	2019-10-24 03:32:37 UTC (rev 511)
@@ -1,4 +1,4 @@
-CHANGES IN CHNOSZ 1.3.3-6 (2019-10-19)
+CHANGES IN CHNOSZ 1.3.3-8 (2019-10-24)
 --------------------------------------
 
 - describe.reaction(): revert the change of using a double arrow. The
@@ -20,6 +20,9 @@
 - Remove protein_refseq.csv.xz (based on RefSeq release 61). An updated
   version, based on RefSeq release 95, is available in JMDplots.
 
+- Move some carbonates from SUPCRT92 back into default database:
+  artinite, azurite.
+
 CHANGES IN CHNOSZ 1.3.3 (2019-08-02)
 ------------------------------------
 

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv	2019-10-24 03:18:25 UTC (rev 510)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/SUPCRT92.csv	2019-10-24 03:32:37 UTC (rev 511)
@@ -27,8 +27,6 @@
 antigorite,Atg,Mg48Si34O85(OH)62,cr,"HDNB78 [S92]",NA,5.May.78,cal,-15808020,-17070891,861.36,NA,1749.13,1228.45,513.76,-286.68,0,0,0,0,848
 antigorite,Atg,Mg48Si34O85(OH)62,cr2,"HDNB78 [S92]",CHNOSZ.1,5.May.78,cal,-15808027.845,NA,858.9133,NA,1749.13,1234.83,501.24,-281.28,0,0,0,0,1000
 aragonite,Arg,CaCO3,cr,"HDNB78 [S92]","PB82 [S92]",9.Mar.90,cal,-269683,-288531,21.56,NA,34.15,20.13,10.24,-3.34,0,0,0,0,600
-artinite,Art,Mg2(OH)2(CO3)*3H2O,cr,"HDNB78 [S92]",NA,5.May.78,cal,-613915,-698043,55.67,NA,96.9,70.87,27.66,-7.43,0,0,0,0,1000
-azurite,Azr,Cu3(OH)2(CO3)2,cr,"HDNB78 [S92]",NA,5.May.78,cal,-334417,-390100,66.97,NA,91.01,36.88,77.44,-0.92,0,0,0,0,780
 boehmite,Bhm,AlO(OH),cr,"HDNB78 [S92]",NA,5.May.78,cal,-217250,-235078,11.58,NA,19.535,14.435,4.2,0,0,0,0,0,500
 brucite,Brc,Mg(OH)2,cr,"HDNB78 [S92]",NA,5.May.78,cal,-199646,-221390,15.09,NA,24.63,24.147,4.0124,-6.11,0,0,0,0,900
 Ca-Al-pyroxene,Ca-Al-Px,CaAl(AlSi)O6,cr,"HDNB78 [S92]",SPRONS92.2,15.Mar.90,cal,-742067,-783793,35,NA,63.5,54.13,6.42,-14.9,0,0,0,0,1400

Modified: pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv.xz
===================================================================
--- pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv.xz	2019-10-24 03:18:25 UTC (rev 510)
+++ pkg/CHNOSZ/inst/extdata/OBIGT/inorganic_cr.csv.xz	2019-10-24 03:32:37 UTC (rev 511)
@@ -1,45 +1,34 @@
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\ No newline at end of file

Modified: pkg/CHNOSZ/inst/extdata/thermo/stoich.csv.xz
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