Fixed minor memory leak issues

ttadano · Nov 25, 2017 · 4d3454d · 4d3454d
1 parent 007aadd
commit 4d3454d
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Showing 3 changed files with 54 additions and 14 deletions.
diff --git a/alm/constraint.cpp b/alm/constraint.cpp
@@ -30,22 +30,33 @@ using namespace ALM_NS;
 
 Constraint::Constraint(ALM *alm) : Pointers(alm)
 {
+    const_symmetry = nullptr;
+    const_fix = nullptr;
+    const_relate = nullptr;
+    index_bimap = nullptr;
+    const_mat = nullptr;
+    const_rhs = nullptr;
 }
 
 Constraint::~Constraint()
 {
-    if (exist_constraint && alm->mode == "fitting") {
-
+    if (const_symmetry) {
         memory->deallocate(const_symmetry);
-
-        if (constraint_algebraic) {
-            memory->deallocate(const_fix);
-            memory->deallocate(const_relate);
-            memory->deallocate(index_bimap);
-        } else {
-            memory->deallocate(const_mat);
-            memory->deallocate(const_rhs);
-        }
+    }
+    if (const_fix) {
+        memory->deallocate(const_fix);
+    }
+    if (const_relate) {
+        memory->deallocate(const_relate);
+    }
+    if (index_bimap) {
+        memory->deallocate(index_bimap);
+    }
+    if (const_mat) {
+        memory->deallocate(const_mat);
+    }
+    if (const_rhs) {
+        memory->deallocate(const_rhs);
     }
 }
 
@@ -540,6 +551,8 @@ void Constraint::get_mapping_constraint(const int nmax,
     }
 
     memory->deallocate(has_constraint);
+    memory->deallocate(fix_forceconstant);
+    memory->deallocate(file_forceconstant);
 }
 
 void Constraint::generate_symmetry_constraint_in_cartesian(std::vector<ConstraintClass> *const_out)

diff --git a/alm/interaction.cpp b/alm/interaction.cpp
@@ -30,6 +30,7 @@ using namespace ALM_NS;
 
 Interaction::Interaction(ALM *alm) : Pointers(alm)
 {
+    rcs = nullptr;
 }
 
 Interaction::~Interaction()
@@ -43,6 +44,9 @@ Interaction::~Interaction()
     memory->deallocate(interaction_pair);
     memory->deallocate(mindist_cluster);
     memory->deallocate(distall);
+    if (rcs) {
+        memory->deallocate(rcs);
+    }
 }
 
 void Interaction::init()
@@ -193,6 +197,8 @@ void Interaction::generate_coordinate_of_periodic_images(const unsigned int nat,
         for (ja = -1; ja <= 1; ++ja) {
             for (ka = -1; ka <= 1; ++ka) {
 
+                if (ia == 0 && ja == 0 && ka == 0) continue;
+
                 ++icell;
 
                 // When periodic flag is zero along an axis, 

diff --git a/alm/system.cpp b/alm/system.cpp
@@ -32,13 +32,34 @@ using namespace ALM_NS;
 
 System::System(ALM *alm): Pointers(alm)
 {
+    kdname = nullptr;
+    kd = nullptr;
+    xcoord = nullptr;
+    magmom = nullptr;
+    x_cartesian = nullptr;
+    atomlist_class = nullptr;
 }
 
 System::~System()
 {
-    memory->deallocate(x_cartesian);
-    memory->deallocate(atomlist_class);
-    memory->deallocate(magmom);
+    if (kdname) {
+        memory->deallocate(kdname);
+    }
+    if (kd) {
+        memory->deallocate(kd);
+    }
+    if (xcoord) {
+        memory->deallocate(xcoord);
+    }
+    if (magmom) {
+        memory->deallocate(magmom);
+    }
+    if (x_cartesian) {
+        memory->deallocate(x_cartesian);
+    }
+    if (atomlist_class) {
+        memory->deallocate(atomlist_class);
+    }
 }
 
 void System::init()