From f9afdc282fa448b3f7998ae0d2356eaae7a43302 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Wed, 11 Aug 2021 18:08:44 -0400
Subject: [PATCH 1/2] convert `decay_rate` to `stop_lr` from old inputs

close #919.
---
 deepmd/utils/compat.py | 23 +++++++++++++++++++++++
 1 file changed, 23 insertions(+)

diff --git a/deepmd/utils/compat.py b/deepmd/utils/compat.py
index e3fd0c3177..e8f2db25e1 100644
--- a/deepmd/utils/compat.py
+++ b/deepmd/utils/compat.py
@@ -5,6 +5,7 @@
 from pathlib import Path
 from typing import Any, Dict, Optional, Sequence, Union
 
+import numpy as np
 from deepmd.common import j_must_have
 
 
@@ -237,6 +238,25 @@ def _jcopy(src: Dict[str, Any], dst: Dict[str, Any], keys: Sequence[str]):
         dst[k] = src[k]
 
 
+def remove_decay_rate(jdata: Dict[str, Any]):
+    """convert decay_rate to stop_lr.
+    
+    Parameters
+    ----------
+    jdata: Dict[str, Any]
+        input data
+    """
+    lr = jdata["learning_rate"]
+    if "decay_rate" in lr:
+        decay_rate = lr["decay_rate"]
+        start_lr = lr["start_lr"]
+        stop_step = jdata["training"]["stop_batch"]
+        decay_steps = lr["decay_steps"]
+        stop_lr = np.exp(np.log(decay_rate) * (stop_step / decay_steps)) * start_lr
+        lr["stop_lr"] = stop_lr
+        lr.pop("decay_rate")
+
+
 def convert_input_v1_v2(jdata: Dict[str, Any],
                         warning: bool = True,
                         dump: Optional[Union[str, Path]] = None) -> Dict[str, Any]:
@@ -259,6 +279,9 @@ def convert_input_v1_v2(jdata: Dict[str, Any],
 
     jdata["training"] = new_tr_cfg
 
+    # remove deprecated arguments
+    remove_decay_rate(jdata)
+
     if warning:
         _warning_input_v1_v2(dump)
     if dump is not None:

From d9b0a657c23e72cbda8c647cf969ef454595cfb2 Mon Sep 17 00:00:00 2001
From: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Date: Wed, 11 Aug 2021 19:48:40 -0400
Subject: [PATCH 2/2] fix tests

---
 source/tests/compat_inputs/water_v2.json | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/source/tests/compat_inputs/water_v2.json b/source/tests/compat_inputs/water_v2.json
index 0bb1281f55..af923b606d 100644
--- a/source/tests/compat_inputs/water_v2.json
+++ b/source/tests/compat_inputs/water_v2.json
@@ -17,7 +17,7 @@
     "learning_rate" :{
 		"type":		"exp",
 		"decay_steps":	5000,
-		"decay_rate":	0.95,
+		"stop_lr":	3.505266624882874e-08,
 		"start_lr":	0.001
     },