Add regression tests covering activation functions

test/prog/fortnet/input/activation/arctan/fortnet_in.hsd

@@ -0,0 +1,54 @@
+Network = BPNN {
+
+  Hidden = 2 2
+  Activation = 'atan'
+
+}
+
+Features {
+
+  Mapping = ACSF {
+    Reduce = No
+    Standardization = Yes
+    Function = Auto {
+      AtomID = 0
+      RCut = 4.0
+      NRadial = 5
+      NAngular = 4
+    }
+  }
+
+}
+
+Training = SD {
+
+  Threshold = 1e-20
+  NIterations = 1
+  NPrintout = 1
+  NSaveNet = 1
+  MinDisplacement = 1e-10
+  MaxDisplacement = 5e-01
+  LearningRate = 0.001
+  Loss = 'mse'
+
+  Shuffle = No
+
+}
+
+Data {
+
+  Dataset = '../../../datasets/fnetdata_oh_c_global.hdf5'
+  Validset = '../../../datasets/fnetdata_oh_c_global.hdf5'
+  NetstatFile = 'fortnet.hdf5'
+
+}
+
+Options {
+
+  ReadNetStats = No
+  Mode = 'train'
+
+  RandomSeed = 123456
+  WriteIterationTrajectory = No
+
+}

test/prog/fortnet/input/activation/bent/fortnet_in.hsd

@@ -0,0 +1,54 @@
+Network = BPNN {
+
+  Hidden = 2 2
+  Activation = 'bent'
+
+}
+
+Features {
+
+  Mapping = ACSF {
+    Reduce = No
+    Standardization = Yes
+    Function = Auto {
+      AtomID = 0
+      RCut = 4.0
+      NRadial = 5
+      NAngular = 4
+    }
+  }
+
+}
+
+Training = SD {
+
+  Threshold = 1e-20
+  NIterations = 1
+  NPrintout = 1
+  NSaveNet = 1
+  MinDisplacement = 1e-10
+  MaxDisplacement = 5e-01
+  LearningRate = 0.001
+  Loss = 'mse'
+
+  Shuffle = No
+
+}
+
+Data {
+
+  Dataset = '../../../datasets/fnetdata_oh_c_global.hdf5'
+  Validset = '../../../datasets/fnetdata_oh_c_global.hdf5'
+  NetstatFile = 'fortnet.hdf5'
+
+}
+
+Options {
+
+  ReadNetStats = No
+  Mode = 'train'
+
+  RandomSeed = 123456
+  WriteIterationTrajectory = No
+
+}

test/prog/fortnet/input/activation/lrelu/fortnet_in.hsd

@@ -0,0 +1,54 @@
+Network = BPNN {
+
+  Hidden = 2 2
+  Activation = 'lrelu'
+
+}
+
+Features {
+
+  Mapping = ACSF {
+    Reduce = No
+    Standardization = Yes
+    Function = Auto {
+      AtomID = 0
+      RCut = 4.0
+      NRadial = 5
+      NAngular = 4
+    }
+  }
+
+}
+
+Training = SD {
+
+  Threshold = 1e-20
+  NIterations = 1
+  NPrintout = 1
+  NSaveNet = 1
+  MinDisplacement = 1e-10
+  MaxDisplacement = 5e-01
+  LearningRate = 0.001
+  Loss = 'mse'
+
+  Shuffle = No
+
+}
+
+Data {
+
+  Dataset = '../../../datasets/fnetdata_oh_c_global.hdf5'
+  Validset = '../../../datasets/fnetdata_oh_c_global.hdf5'
+  NetstatFile = 'fortnet.hdf5'
+
+}
+
+Options {
+
+  ReadNetStats = No
+  Mode = 'train'
+
+  RandomSeed = 123456
+  WriteIterationTrajectory = No
+
+}

test/prog/fortnet/input/activation/softplus/fortnet_in.hsd

@@ -0,0 +1,54 @@
+Network = BPNN {
+
+  Hidden = 2 2
+  Activation = 'softplus'
+
+}
+
+Features {
+
+  Mapping = ACSF {
+    Reduce = No
+    Standardization = Yes
+    Function = Auto {
+      AtomID = 0
+      RCut = 4.0
+      NRadial = 5
+      NAngular = 4
+    }
+  }
+
+}
+
+Training = SD {
+
+  Threshold = 1e-20
+  NIterations = 1
+  NPrintout = 1
+  NSaveNet = 1
+  MinDisplacement = 1e-10
+  MaxDisplacement = 5e-01
+  LearningRate = 0.001
+  Loss = 'mse'
+
+  Shuffle = No
+
+}
+
+Data {
+
+  Dataset = '../../../datasets/fnetdata_oh_c_global.hdf5'
+  Validset = '../../../datasets/fnetdata_oh_c_global.hdf5'
+  NetstatFile = 'fortnet.hdf5'
+
+}
+
+Options {
+
+  ReadNetStats = No
+  Mode = 'train'
+
+  RandomSeed = 123456
+  WriteIterationTrajectory = No
+
+}

test/prog/fortnet/tests

@@ -12,11 +12,15 @@ input/acsf/autoandmanual
 input/acsf/manual
 input/acsf/multiauto
 
+input/activation/arctan
+input/activation/bent
 input/activation/gaussian
 input/activation/heaviside
 input/activation/linear
+input/activation/lrelu
 input/activation/relu
 input/activation/sigmoid
+input/activation/softplus
 input/activation/tanh
 
 input/atomids/speciesResolved