Merge pull request #3289 from akohlmey/collected-small-changes

A few last minutes updates and fixes for the next patch release

cmake/Modules/Packages/ML-QUIP.cmake

@@ -43,6 +43,7 @@ if(DOWNLOAD_QUIP)
   file(WRITE ${CMAKE_BINARY_DIR}/quip.config "${temp}")
 
   message(STATUS "QUIP download via git requested - we will build our own")
+  set(CMAKE_EP_GIT_REMOTE_UPDATE_STRATEGY CHECKOUT)
   # QUIP has no releases (except for a tag marking the end of Python 2 support). We use the current "public" branch
   # The LAMMPS interface wrapper has a compatibility constant that is being checked at runtime.
   include(ExternalProject)

doc/utils/sphinx-config/false_positives.txt

@@ -1569,6 +1569,7 @@ jpeglib
 jpg
 JPG
 jpl
+json
 Jth
 jtranch
 jtype

src/atom_vec.cpp

@@ -207,7 +207,7 @@ void AtomVec::grow(int n)
   if (n == 0)
     grow_nmax();
   else
-    nmax = n;
+    nmax = MAX(n,nmax);
   atom->nmax = nmax;
   if (nmax < 0 || nmax > MAXSMALLINT) error->one(FLERR, "Per-processor system is too big");
 

unittest/force-styles/tests/fix-timestep-oneway.yaml

@@ -1,7 +1,7 @@
 ---
 lammps_version: 17 Feb 2022
 date_generated: Fri Mar 18 22:17:59 2022
-epsilon: 7.5e-14
+epsilon: 2e-13
 skip_tests:
 prerequisites: ! |
   atom full

unittest/force-styles/tests/mol-pair-lj_cut_tip4p_long.yaml

@@ -1,7 +1,7 @@
 ---
 lammps_version: 17 Feb 2022
 date_generated: Fri Mar 18 22:17:32 2022
-epsilon: 5e-12
+epsilon: 2e-11
 skip_tests:
 prerequisites: ! |
   atom full