small corrections and more cleanup

doc/src/Commands_fix.rst

@@ -238,4 +238,3 @@ OPT.
    * :doc:`wall/region <fix_wall_region>`
    * :doc:`wall/region/ees <fix_wall_ees>`
    * :doc:`wall/srd <fix_wall_srd>`
-   *

src/USER-MISC/README

@@ -57,6 +57,7 @@ fix gle, Michele Ceriotti (EPFL Lausanne), michele.ceriotti at gmail.com, 24 Nov
 fix grem, David Stelter, dstelter@bu.edu, 22 Nov 16
 fix imd, Axel Kohlmeyer, akohlmey at gmail.com, 9 Nov 2009
 fix ipi, Michele Ceriotti (EPFL Lausanne), michele.ceriotti at gmail.com, 24 Nov 2014
+fix npt/cauchy, R. E. Miller (Carleton University), F. Pavia and S. Pattamatta, 12 Jan 2020
 fix nvk, Efrem Braun (UC Berkeley), efrem.braun at gmail.com, https://github.com/lammps/lammps/pull/310
 fix pimd, Yuxing Peng (U Chicago), yuxing at uchicago.edu, 24 Nov 2014
 fix rhok, Ulf Pedersen (Roskilde U), ulf at urp.dk, 25 Sep 2017

src/USER-MISC/fix_npt_cauchy.cpp

@@ -2729,11 +2729,18 @@ void FixNPTCauchy::CauchyStat_Step(double (&Fi)[3][3], double (&Fdot)[3][3],
   int i,j,m,n;
 
   double deltastress[6],fdotvec[6];
-  double dsdf[6][6]={0.0}; //zeroed, used in incremental form
-  double dsds[6][6]={0.0}; //zeroed, used in incremental form
+  double dsdf[6][6];
+  double dsds[6][6];
   double jac;
-  double deltaF[6]={0.0}; //zeroed, used in incremental form
-  double deltaPK[6]={0.0}; //zeroed, used in incremental form
+  double deltaF[6];
+  double deltaPK[6];
+
+  // zero arrays
+  for (i = 0; i < 6; ++i) {
+    deltaF[i] = deltaPK[i] = deltastress[i] = fdotvec[i] = 0.0;
+    for (j = 0; j < 6; ++j)
+      dsdf[i][j] = dsds[i][j] = 0.0;
+  }
 
   int uv[6][2];
   uv(1,1)=1; uv(1,2)=1;

src/USER-MISC/fix_npt_cauchy.h

@@ -179,6 +179,7 @@ class FixNPTCauchy : public Fix {
 
 }
 
+#endif
 #endif
 
 /* ERROR/WARNING messages: