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

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A few last minutes updates and fixes for the next patch release
This commit is contained in:
Axel Kohlmeyer
2022-06-02 20:16:39 -04:00
committed by GitHub
parent 31f7798720 260a5f4d52
commit 2da61d69a1
5 changed files with 5 additions and 3 deletions
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1
cmake/Modules/Packages/ML-QUIP.cmake
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@ -43,6 +43,7 @@ if(DOWNLOAD_QUIP)
file(WRITE ${CMAKE_BINARY_DIR}/quip.config "${temp}") file(WRITE ${CMAKE_BINARY_DIR}/quip.config "${temp}")
message(STATUS "QUIP download via git requested - we will build our own") 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 # 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. # The LAMMPS interface wrapper has a compatibility constant that is being checked at runtime.
include(ExternalProject) include(ExternalProject)

1
doc/utils/sphinx-config/false_positives.txt
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@ -1569,6 +1569,7 @@ jpeglib
jpg jpg
JPG JPG
jpl jpl
json
Jth Jth
jtranch jtranch
jtype jtype

2
src/atom_vec.cpp
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@ -207,7 +207,7 @@ void AtomVec::grow(int n)
if (n == 0) if (n == 0)
grow_nmax(); grow_nmax();
else else
nmax = n; nmax = MAX(n,nmax);
atom->nmax = nmax; atom->nmax = nmax;
if (nmax < 0 || nmax > MAXSMALLINT) error->one(FLERR, "Per-processor system is too big"); if (nmax < 0 || nmax > MAXSMALLINT) error->one(FLERR, "Per-processor system is too big");

2
unittest/force-styles/tests/fix-timestep-oneway.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 17 Feb 2022 lammps_version: 17 Feb 2022
date_generated: Fri Mar 18 22:17:59 2022 date_generated: Fri Mar 18 22:17:59 2022
epsilon: 7.5e-14 epsilon: 2e-13
skip_tests: skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full

2
unittest/force-styles/tests/mol-pair-lj_cut_tip4p_long.yaml
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@ -1,7 +1,7 @@
--- ---
lammps_version: 17 Feb 2022 lammps_version: 17 Feb 2022
date_generated: Fri Mar 18 22:17:32 2022 date_generated: Fri Mar 18 22:17:32 2022
epsilon: 5e-12 epsilon: 2e-11
skip_tests: skip_tests:
prerequisites: ! | prerequisites: ! |
atom full atom full