BladeDISC DeePMD code

6b33aeb8 · zhangqha · 6b33aeb8 · 6b33aeb8 · 6b33aeb8 · 6b33aeb8
Commit 6b33aeb8 authored Apr 17, 2023 by zhangqha
20 changed files
--- a/data/raw/copy_raw.py
+++ b/data/raw/copy_raw.py
--- a/data/raw/raw_to_set.sh
+++ b/data/raw/raw_to_set.sh
--- a/data/raw/shuffle_raw.py
+++ b/data/raw/shuffle_raw.py
--- a/deepmd/.gitignore
+++ b/deepmd/.gitignore
--- a/deepmd/__about__.py
+++ b/deepmd/__about__.py
--- a/deepmd/__init__.py
+++ b/deepmd/__init__.py
--- a/deepmd/__main__.py
+++ b/deepmd/__main__.py
--- a/deepmd/_version.py
+++ b/deepmd/_version.py
--- a/deepmd/calculator.py
+++ b/deepmd/calculator.py
--- a/deepmd/cluster/__init__.py
+++ b/deepmd/cluster/__init__.py
--- a/deepmd/cluster/local.py
+++ b/deepmd/cluster/local.py
--- a/deepmd/cluster/slurm.py
+++ b/deepmd/cluster/slurm.py
--- a/deepmd/common.py
+++ b/deepmd/common.py
--- a/deepmd/descriptor/__init__.py
+++ b/deepmd/descriptor/__init__.py
--- a/deepmd/descriptor/descriptor.py
+++ b/deepmd/descriptor/descriptor.py
--- a/deepmd/descriptor/hybrid.py
+++ b/deepmd/descriptor/hybrid.py
--- a/deepmd/descriptor/loc_frame.py
+++ b/deepmd/descriptor/loc_frame.py
--- a/deepmd/descriptor/se.py
+++ b/deepmd/descriptor/se.py
--- a/deepmd/descriptor/se_a.py
+++ b/deepmd/descriptor/se_a.py
--- a/deepmd/descriptor/se_a_ebd.py
+++ b/deepmd/descriptor/se_a_ebd.py