From a1a9f34c1857c842e3033b0628b8fa1dfa8630df Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 4 Oct 2018 12:18:28 +0200
Subject: [PATCH] pair style deprecated now functional and compatible with
hybrid pair styles
---
src/pair_deprecated.cpp | 52 ++++++++++++++++++++++++-----------------
src/pair_deprecated.h | 10 ++++----
src/pair_hybrid.h | 1 +
3 files changed, 36 insertions(+), 27 deletions(-)
diff --git a/src/pair_deprecated.cpp b/src/pair_deprecated.cpp
index a383f390cf..e64c4913e4 100644
--- a/src/pair_deprecated.cpp
+++ b/src/pair_deprecated.cpp
@@ -23,31 +23,39 @@
using namespace LAMMPS_NS;
+static void writemsg(LAMMPS *lmp, const char *msg, int abend=1)
+{
+ if (lmp->comm->me == 0) {
+ if (lmp->screen) fputs(msg,lmp->screen);
+ if (lmp->logfile) fputs(msg,lmp->logfile);
+ }
+ if (abend)
+ lmp->error->all(FLERR,"This pair_style is no longer available");
+}
+
+
/* ---------------------------------------------------------------------- */
-PairDeprecated::PairDeprecated(LAMMPS *lmp) : Pair(lmp)
+void PairDeprecated::settings(int, char **)
{
- if (strcmp(force->pair_style,"deprecated") == 0) {
- const char *message = "\n"
- "NOTE: The pair style 'deprecated' is a dummy fix style that was added to\n"
- "LAMMPS in order to print suitable error messages for deleted features.\n\n";
-
- if (comm->me == 0) {
- if (screen) fputs(message,screen);
- if (logfile) fputs(message,logfile);
- }
+ const char *my_style = force->pair_style;
+
+ // hybrid substyles are created in PairHybrid::settings(), so when this is
+ // called, our style was just added at the end of the list of substyles
+ if (strncmp(my_style,"hybrid",6) == 0) {
+ PairHybrid *hybrid = (PairHybrid *)force->pair;
+ my_style = hybrid->keywords[hybrid->nstyles];
}
- if (strncmp(force->pair_style,"reax",11) == 0) {
- const char *message = "\n"
- "NOTE: The pair style 'reax' has been removed from LAMMPS after the\n"
- "## November 2018 stable release. Its functionality has long before\n"
- "been superseded by pair styles 'reax/c' and 'reax/c/kk'\n\n";
-
- if (comm->me == 0) {
- if (screen) fputs(message,screen);
- if (logfile) fputs(message,logfile);
- }
+
+ if (strcmp(my_style,"deprecated") == 0) {
+ writemsg(lmp,"\nPair style 'deprecated' is a dummy pair style\n\n",0);
+
+ } else if (strcmp(my_style,"reax") == 0) {
+ writemsg(lmp, "\nPair style 'reax' has been removed from LAMMPS "
+ "after the\n## November 2018 stable release. Its "
+ "functionality has long before\nbeen superseded by pair "
+ "styles 'reax/c' and 'reax/c/kk'\n\n");
}
- error->all(FLERR,"This pair_style command has been removed from LAMMPS");
-}
+}
+
diff --git a/src/pair_deprecated.h b/src/pair_deprecated.h
index 4201b3453d..163b2a8f1b 100644
--- a/src/pair_deprecated.h
+++ b/src/pair_deprecated.h
@@ -26,12 +26,12 @@ namespace LAMMPS_NS {
class PairDeprecated : public Pair {
public:
- PairDeprecated(class LAMMPS *);
- virtual ~PairDeprecated() {};
+ PairDeprecated(class LAMMPS *lmp) : Pair(lmp) {}
+ virtual ~PairDeprecated() {}
- virtual void compute(int, int) {};
- virtual void settings(int, char **) {};
- virtual void coeff(int, char **) {};
+ virtual void compute(int, int) {}
+ virtual void settings(int, char **);
+ virtual void coeff(int, char **) {}
};
diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h
index 08f5a574df..e313e16f18 100644
--- a/src/pair_hybrid.h
+++ b/src/pair_hybrid.h
@@ -32,6 +32,7 @@ class PairHybrid : public Pair {
friend class Force;
friend class Respa;
friend class Info;
+ friend class PairDeprecated;
public:
PairHybrid(class LAMMPS *);
virtual ~PairHybrid();
--
GitLab