doubt -> dout

Signed-off-by: Jinzhe Zeng <[email protected]>
njzjz · Oct 28, 2024 · 8d6fa49 · 8d6fa49
1 parent 33a54c2
commit 8d6fa49
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Showing 8 changed files with 33 additions and 33 deletions.
diff --git a/source/tests/tf/test_descrpt_se_a_mask.py b/source/tests/tf/test_descrpt_se_a_mask.py
@@ -257,7 +257,7 @@ def test_descriptor_se_a_mask(self):
         is_training = tf.placeholder(tf.bool)
         t_aparam = tf.placeholder(tf.int32, [None, None], name="i_aparam")
 
-        doubt = descrpt.build(
+        dout = descrpt.build(
             t_coord,
             t_type,
             t_natoms,
@@ -281,7 +281,7 @@ def test_descriptor_se_a_mask(self):
         }
         sess = self.cached_session().__enter__()
         sess.run(tf.global_variables_initializer())
-        [op_dout] = sess.run([doubt], feed_dict=feed_dict_test)
+        [op_dout] = sess.run([dout], feed_dict=feed_dict_test)
         op_dout = op_dout.reshape([-1])
 
         ref_dout = np.zeros(op_dout.shape, dtype=float)

diff --git a/source/tests/tf/test_descrpt_se_a_type.py b/source/tests/tf/test_descrpt_se_a_type.py
@@ -92,7 +92,7 @@ def test_descriptor_two_sides(self):
 
         type_embedding = typeebd.build(ntypes, suffix="_se_a_type_des_ebd_2sdies")
 
-        doubt = descrpt.build(
+        dout = descrpt.build(
             t_coord,
             t_type,
             t_natoms,
@@ -119,7 +119,7 @@ def test_descriptor_two_sides(self):
 
         sess = self.cached_session().__enter__()
         sess.run(tf.global_variables_initializer())
-        [model_dout] = sess.run([doubt], feed_dict=feed_dict_test)
+        [model_dout] = sess.run([dout], feed_dict=feed_dict_test)
         model_dout = model_dout.reshape([-1])
 
         ref_dout = [
@@ -257,7 +257,7 @@ def test_descriptor_one_side(self):
 
         type_embedding = typeebd.build(ntypes, suffix="_se_a_type_des_ebd_1side")
 
-        doubt = descrpt.build(
+        dout = descrpt.build(
             t_coord,
             t_type,
             t_natoms,
@@ -284,7 +284,7 @@ def test_descriptor_one_side(self):
 
         sess = self.cached_session().__enter__()
         sess.run(tf.global_variables_initializer())
-        [model_dout] = sess.run([doubt], feed_dict=feed_dict_test)
+        [model_dout] = sess.run([dout], feed_dict=feed_dict_test)
         model_dout = model_dout.reshape([-1])
 
         ref_dout = [

diff --git a/source/tests/tf/test_descrpt_se_atten.py b/source/tests/tf/test_descrpt_se_atten.py
@@ -112,7 +112,7 @@ def test_descriptor_two_sides(self):
             + "_se_atten_type_des_ebd_2sdies",
         )
 
-        doubt = descrpt.build(
+        dout = descrpt.build(
             t_coord,
             t_type,
             t_natoms,
@@ -142,7 +142,7 @@ def test_descriptor_two_sides(self):
 
         sess = self.cached_session().__enter__()
         sess.run(tf.global_variables_initializer())
-        [model_dout] = sess.run([doubt], feed_dict=feed_dict_test)
+        [model_dout] = sess.run([dout], feed_dict=feed_dict_test)
         model_dout = model_dout.reshape([-1])
         np.savetxt("two.out", model_dout.reshape([1, -1]), delimiter=",")
 
@@ -290,7 +290,7 @@ def test_descriptor_one_side(self):
             + "_se_atten_type_des_ebd_1side",
         )
 
-        doubt = descrpt.build(
+        dout = descrpt.build(
             t_coord,
             t_type,
             t_natoms,
@@ -320,7 +320,7 @@ def test_descriptor_one_side(self):
 
         sess = self.cached_session().__enter__()
         sess.run(tf.global_variables_initializer())
-        [model_dout] = sess.run([doubt], feed_dict=feed_dict_test)
+        [model_dout] = sess.run([dout], feed_dict=feed_dict_test)
         model_dout = model_dout.reshape([-1])
         np.savetxt("one.out", model_dout.reshape([1, -1]), delimiter=",")
 
@@ -464,7 +464,7 @@ def test_stripped_type_embedding_descriptor_two_sides(self):
             ntypes, suffix=self.filename + "-" + inspect.stack()[0][3]
         )
 
-        doubt = descrpt.build(
+        dout = descrpt.build(
             t_coord,
             t_type,
             t_natoms,
@@ -491,7 +491,7 @@ def test_stripped_type_embedding_descriptor_two_sides(self):
 
         sess = self.cached_session().__enter__()
         sess.run(tf.global_variables_initializer())
-        [model_dout] = sess.run([doubt], feed_dict=feed_dict_test)
+        [model_dout] = sess.run([dout], feed_dict=feed_dict_test)
         model_dout = model_dout.reshape([-1])
         np.savetxt("two1.out", model_dout.reshape([1, -1]), delimiter=",")
 
@@ -640,7 +640,7 @@ def test_compressible_descriptor_two_sides(self):
             + "_se_atten_type_des_ebd_2sdies",
         )
 
-        doubt = descrpt.build(
+        dout = descrpt.build(
             t_coord,
             t_type,
             t_natoms,
@@ -670,7 +670,7 @@ def test_compressible_descriptor_two_sides(self):
 
         sess = self.cached_session().__enter__()
         sess.run(tf.global_variables_initializer())
-        [model_dout] = sess.run([doubt], feed_dict=feed_dict_test)
+        [model_dout] = sess.run([dout], feed_dict=feed_dict_test)
         model_dout = model_dout.reshape([-1])
         np.savetxt("two.out", model_dout.reshape([1, -1]), delimiter=",")
 

diff --git a/source/tests/tf/test_descrpt_sea_ef_rot.py b/source/tests/tf/test_descrpt_sea_ef_rot.py
@@ -83,7 +83,7 @@ def build_efv(self, dcoord, dbox, dtype, tnatoms, name, op, reuse=None):
                     "uniform_seed": True,
                 }
             )
-        doubt = descrpt.build(
+        dout = descrpt.build(
             dcoord,
             dtype,
             tnatoms,
@@ -93,8 +93,8 @@ def build_efv(self, dcoord, dbox, dtype, tnatoms, name, op, reuse=None):
             suffix=name,
             reuse=reuse,
         )
-        doubt = tf.reshape(doubt, [-1, descrpt.get_dim_out()])
-        atom_ener = tf.reduce_sum(doubt, axis=1)
+        dout = tf.reshape(dout, [-1, descrpt.get_dim_out()])
+        atom_ener = tf.reduce_sum(dout, axis=1)
         atom_ener_reshape = tf.reshape(atom_ener, [-1, self.natoms[0]])
         energy = tf.reduce_sum(atom_ener_reshape, axis=1)
         force, virial, atom_vir = descrpt.prod_force_virial(atom_ener, tnatoms)

diff --git a/source/tests/tf/test_fitting_dos.py b/source/tests/tf/test_fitting_dos.py
@@ -81,7 +81,7 @@ def test_fitting(self):
         is_training = tf.placeholder(tf.bool)
         t_fparam = None
 
-        doubt = np.array(
+        dout = np.array(
             [
                 0.0005722682145569174,
                 -0.00020202686217742682,
@@ -148,7 +148,7 @@ def test_fitting(self):
 
         atype = np.array([0, 0, 1, 1, 1, 1], dtype=np.int32)
 
-        doubt = doubt.reshape([-1, 10])
+        dout = dout.reshape([-1, 10])
         atype = atype.reshape([-1])
 
         natoms = 6
@@ -158,7 +158,7 @@ def test_fitting(self):
         test_data["atom_dos"] = tmp_atom_dos
 
         atom_dos = fitting.build(
-            tf.convert_to_tensor(doubt),
+            tf.convert_to_tensor(dout),
             t_natoms,
             {
                 "atype": tf.convert_to_tensor(atype),

diff --git a/source/tests/tf/test_fitting_ener_type.py b/source/tests/tf/test_fitting_ener_type.py
@@ -79,7 +79,7 @@ def test_fitting(self):
         is_training = tf.placeholder(tf.bool)
         t_fparam = None
 
-        doubt = np.array(
+        dout = np.array(
             [
                 0.0005722682145569174,
                 -0.00020202686217742682,
@@ -159,11 +159,11 @@ def test_fitting(self):
         )
         atype = np.array([0, 0, 1, 1, 1, 1], dtype=np.int32)
 
-        doubt = doubt.reshape([-1, 10])
+        dout = dout.reshape([-1, 10])
         type_embedding = type_embedding.reshape([ntypes, -1])
         atype = atype.reshape([-1])
         atom_ener = fitting.build(
-            tf.convert_to_tensor(doubt),
+            tf.convert_to_tensor(dout),
             t_natoms,
             {
                 "type_embedding": tf.convert_to_tensor(type_embedding),

diff --git a/source/tests/tf/test_model_se_a_type.py b/source/tests/tf/test_model_se_a_type.py
@@ -126,7 +126,7 @@ def test_model(self):
         sess.run(tf.global_variables_initializer())
         [e, f, v] = sess.run([energy, force, virial], feed_dict=feed_dict_test)
         # print(sess.run(model.type_embedding))
-        # np.savetxt('tmp.out', sess.run(descrpt.doubt, feed_dict = feed_dict_test), fmt='%.10e')
+        # np.savetxt('tmp.out', sess.run(descrpt.dout, feed_dict = feed_dict_test), fmt='%.10e')
         # # print(sess.run(model.atype_embed, feed_dict = feed_dict_test))
         # print(sess.run(fitting.inputs, feed_dict = feed_dict_test))
         # print(sess.run(fitting.outs, feed_dict = feed_dict_test))

diff --git a/source/tests/tf/test_model_se_atten.py b/source/tests/tf/test_model_se_atten.py
@@ -138,7 +138,7 @@ def test_model(self):
         sess.run(tf.global_variables_initializer())
         [e, f, v] = sess.run([energy, force, virial], feed_dict=feed_dict_test)
         # print(sess.run(model.type_embedding))
-        # np.savetxt('tmp.out', sess.run(descrpt.doubt, feed_dict = feed_dict_test), fmt='%.10e')
+        # np.savetxt('tmp.out', sess.run(descrpt.dout, feed_dict = feed_dict_test), fmt='%.10e')
         # # print(sess.run(model.atype_embed, feed_dict = feed_dict_test))
         # print(sess.run(fitting.inputs, feed_dict = feed_dict_test))
         # print(sess.run(fitting.outs, feed_dict = feed_dict_test))
@@ -239,7 +239,7 @@ def test_exclude_types(self):
         type_embedding = typeebd.build(
             ntypes, suffix=self.filename + "-" + inspect.stack()[0][3]
         )
-        doubt = descrpt.build(
+        dout = descrpt.build(
             t_coord,
             t_type,
             t_natoms,
@@ -262,7 +262,7 @@ def test_exclude_types(self):
 
         with self.cached_session() as sess:
             sess.run(tf.global_variables_initializer())
-            [des] = sess.run([doubt], feed_dict=feed_dict_test1)
+            [des] = sess.run([dout], feed_dict=feed_dict_test1)
 
         np.testing.assert_almost_equal(des[:, 0:2], 0.0, 10)
         with self.assertRaises(AssertionError):
@@ -364,7 +364,7 @@ def test_compressible_model(self):
         sess.run(tf.global_variables_initializer())
         [e, f, v] = sess.run([energy, force, virial], feed_dict=feed_dict_test)
         # print(sess.run(model.type_embedding))
-        # np.savetxt('tmp.out', sess.run(descrpt.doubt, feed_dict = feed_dict_test), fmt='%.10e')
+        # np.savetxt('tmp.out', sess.run(descrpt.dout, feed_dict = feed_dict_test), fmt='%.10e')
         # # print(sess.run(model.atype_embed, feed_dict = feed_dict_test))
         # print(sess.run(fitting.inputs, feed_dict = feed_dict_test))
         # print(sess.run(fitting.outs, feed_dict = feed_dict_test))
@@ -468,7 +468,7 @@ def test_compressible_exclude_types(self):
         type_embedding = typeebd.build(
             ntypes, suffix=self.filename + "-" + inspect.stack()[0][3]
         )
-        doubt = descrpt.build(
+        dout = descrpt.build(
             t_coord,
             t_type,
             t_natoms,
@@ -491,7 +491,7 @@ def test_compressible_exclude_types(self):
 
         with self.cached_session() as sess:
             sess.run(tf.global_variables_initializer())
-            [des] = sess.run([doubt], feed_dict=feed_dict_test1)
+            [des] = sess.run([dout], feed_dict=feed_dict_test1)
 
         np.testing.assert_almost_equal(des[:, 0:2], 0.0, 10)
         with self.assertRaises(AssertionError):
@@ -597,7 +597,7 @@ def test_stripped_type_embedding_model(self):
         sess.run(tf.global_variables_initializer())
         [e, f, v] = sess.run([energy, force, virial], feed_dict=feed_dict_test)
         # print(sess.run(model.type_embedding))
-        # np.savetxt('tmp.out', sess.run(descrpt.doubt, feed_dict = feed_dict_test), fmt='%.10e')
+        # np.savetxt('tmp.out', sess.run(descrpt.dout, feed_dict = feed_dict_test), fmt='%.10e')
         # # print(sess.run(model.atype_embed, feed_dict = feed_dict_test))
         # print(sess.run(fitting.inputs, feed_dict = feed_dict_test))
         # print(sess.run(fitting.outs, feed_dict = feed_dict_test))
@@ -703,7 +703,7 @@ def test_stripped_type_embedding_exclude_types(self):
             ntypes,
             suffix=self.filename + "-" + inspect.stack()[0][3] + "_type_embedding",
         )
-        doubt = descrpt.build(
+        dout = descrpt.build(
             t_coord,
             t_type,
             t_natoms,
@@ -729,7 +729,7 @@ def test_stripped_type_embedding_exclude_types(self):
 
         with self.cached_session() as sess:
             sess.run(tf.global_variables_initializer())
-            [des] = sess.run([doubt], feed_dict=feed_dict_test1)
+            [des] = sess.run([dout], feed_dict=feed_dict_test1)
 
         np.testing.assert_almost_equal(des[:, 0:2], 0.0, 10)
         with self.assertRaises(AssertionError):