pass 2e-5 converge test

Author: mushroomfire

src/minimize/minimize.cu

@@ -20,7 +20,6 @@ The driver class for minimizers.
 #include "force/force.cuh"
 #include "minimize.cuh"
 #include "minimizer_fire.cuh"
-#include "minimizer_fire2.cuh"
 #include "minimizer_fire_box_change.cuh"
 #include "minimizer_sd.cuh"
 #include "utilities/error.cuh"
@@ -139,30 +138,18 @@ void Minimize::parse_minimize(
       printf("    with fixed box.\n");
       printf("    with a force tolerance of %g eV/A.\n", force_tolerance);
       printf("    for maximally %d steps.\n", number_of_steps);
-      if (number_of_atoms > 999) {
-        minimizer.reset(new Minimizer_FIRE(number_of_atoms, number_of_steps, force_tolerance));
-
-        minimizer->compute(
-          force,
-          box,
-          position_per_atom,
-          type,
-          group,
-          potential_per_atom,
-          force_per_atom,
-          virial_per_atom);
-      } else {
-        minimizer.reset(new Minimizer_FIRE2(number_of_atoms, number_of_steps, force_tolerance));
-        minimizer->compute(
-          force,
-          box,
-          position_per_atom,
-          type,
-          group,
-          potential_per_atom,
-          force_per_atom,
-          virial_per_atom);
-      }
+
+      minimizer.reset(new Minimizer_FIRE(number_of_atoms, number_of_steps, force_tolerance));
+
+      minimizer->compute(
+        force,
+        box,
+        position_per_atom,
+        type,
+        group,
+        potential_per_atom,
+        force_per_atom,
+        virial_per_atom);
 
       break;
     case 2:
@@ -175,32 +162,18 @@ void Minimize::parse_minimize(
       printf("    with a force tolerance of %g eV/A.\n", force_tolerance);
       printf("    for maximally %d steps.\n", number_of_steps);
 
-      if (number_of_atoms > 999) {
-        minimizer.reset(new Minimizer_FIRE_Box_Change(
-          number_of_atoms, number_of_steps, force_tolerance, hydrostatic_strain));
-
-        minimizer->compute(
-          force,
-          box,
-          position_per_atom,
-          type,
-          group,
-          potential_per_atom,
-          force_per_atom,
-          virial_per_atom);
-      } else {
-        minimizer.reset(new Minimizer_FIRE2(
-          number_of_atoms, number_of_steps, force_tolerance, true, hydrostatic_strain));
-        minimizer->compute(
-          force,
-          box,
-          position_per_atom,
-          type,
-          group,
-          potential_per_atom,
-          force_per_atom,
-          virial_per_atom);
-      }
+      minimizer.reset(new Minimizer_FIRE_Box_Change(
+        number_of_atoms, number_of_steps, force_tolerance, hydrostatic_strain));
+
+      minimizer->compute(
+        force,
+        box,
+        position_per_atom,
+        type,
+        group,
+        potential_per_atom,
+        force_per_atom,
+        virial_per_atom);
 
       break;
     default: