BladeDISC DeePMD code

6b33aeb8 · zhangqha · 6b33aeb8 · 6b33aeb8 · 6b33aeb8 · 6b33aeb8
Commit 6b33aeb8 authored Apr 17, 2023 by zhangqha
20 changed files
--- a/examples/fparam/data/e3000_i2000/set.001/energy.npy
+++ b/examples/fparam/data/e3000_i2000/set.001/energy.npy
--- a/examples/fparam/data/e3000_i2000/set.001/force.npy
+++ b/examples/fparam/data/e3000_i2000/set.001/force.npy
--- a/examples/fparam/data/e3000_i2000/set.001/fparam.npy
+++ b/examples/fparam/data/e3000_i2000/set.001/fparam.npy
--- a/examples/fparam/data/e3000_i2000/set.002/aparam.npy
+++ b/examples/fparam/data/e3000_i2000/set.002/aparam.npy
--- a/examples/fparam/data/e3000_i2000/set.002/box.npy
+++ b/examples/fparam/data/e3000_i2000/set.002/box.npy
--- a/examples/fparam/data/e3000_i2000/set.002/coord.npy
+++ b/examples/fparam/data/e3000_i2000/set.002/coord.npy
--- a/examples/fparam/data/e3000_i2000/set.002/energy.npy
+++ b/examples/fparam/data/e3000_i2000/set.002/energy.npy
--- a/examples/fparam/data/e3000_i2000/set.002/force.npy
+++ b/examples/fparam/data/e3000_i2000/set.002/force.npy
--- a/examples/fparam/data/e3000_i2000/set.002/fparam.npy
+++ b/examples/fparam/data/e3000_i2000/set.002/fparam.npy
--- a/examples/fparam/data/e8000_i2000/set.000/aparam.npy
+++ b/examples/fparam/data/e8000_i2000/set.000/aparam.npy
--- a/examples/fparam/data/e8000_i2000/set.000/box.npy
+++ b/examples/fparam/data/e8000_i2000/set.000/box.npy
--- a/examples/fparam/data/e8000_i2000/set.000/coord.npy
+++ b/examples/fparam/data/e8000_i2000/set.000/coord.npy
--- a/examples/fparam/data/e8000_i2000/set.000/energy.npy
+++ b/examples/fparam/data/e8000_i2000/set.000/energy.npy
--- a/examples/fparam/data/e8000_i2000/set.000/force.npy
+++ b/examples/fparam/data/e8000_i2000/set.000/force.npy
--- a/examples/fparam/data/e8000_i2000/set.000/fparam.npy
+++ b/examples/fparam/data/e8000_i2000/set.000/fparam.npy
--- a/examples/fparam/data/e8000_i2000/set.001/aparam.npy
+++ b/examples/fparam/data/e8000_i2000/set.001/aparam.npy
--- a/examples/fparam/data/e8000_i2000/set.001/box.npy
+++ b/examples/fparam/data/e8000_i2000/set.001/box.npy
--- a/examples/fparam/data/e8000_i2000/set.001/coord.npy
+++ b/examples/fparam/data/e8000_i2000/set.001/coord.npy
--- a/examples/fparam/data/e8000_i2000/set.001/energy.npy
+++ b/examples/fparam/data/e8000_i2000/set.001/energy.npy
--- a/examples/fparam/data/e8000_i2000/set.001/force.npy
+++ b/examples/fparam/data/e8000_i2000/set.001/force.npy