I'm new to DeepMD and trying to convert a QE scf.out file into the DeepMD/npy format, but dpdata keeps failing. qe/pw/scf parser raises AttributeError: 'numpy.ndarray ...
The parents of a boy killed in January in a fiery explosion inside a hyperbaric oxygen chamber filed a lawsuit Monday, alleging the 5-year-old perished as a result of “corporate greed.” The suit filed ...
DOVER, Fla. (WFLA) — A snake was rescued on Wednesday after an abandoned aquarium was spotted on the side of the road in Dover, according the Humane Society of Tampa Bay. Credit: Humane Society of ...
Senate Democratic Leader Chuck Schumer (N.Y.) ambushed Senate Majority Leader John Thune (R-S.D.) and the rest of Senate Republican leadership Wednesday morning by filing an amendment to the National ...
Sarah Burris is a long-time veteran of political campaigns, having worked as a fundraiser and media director across the United States. She transitioned into reporting while working for Rock the Vote, ...
Pinstripes, the indoor bowling alley, restaurant and entertainment center, voluntarily filed for Chapter 11 bankruptcy Sept. 8 and closed 10 of 18 locations. According to the company, the Edina ...
I am trying to create a DPLR model for Si. I need to know how to create the atomic_dipole.npy file. Nowhere do I see how to create this file. Since it is one of the important files to train the DPLR ...
Supporters are on the brink of collecting the 218 signatures to proceed, but House Republican leaders and the White House are trying to stop it. By Michael Gold Reporting from the Capitol The release ...
(WHTM) – Dauphin County Commissioner Justin Douglas (D) has filed to run for Congress in the Pennsylvania 10th District. Douglas joins former television anchor Janelle Stelson in next spring’s ...
NEW ALBANY, Ohio (WCMH) — Survivors of convicted sex offender Jeffrey Epstein called out Ohio’s richest man by name last week when they pushed for justice. Speaking on Capitol Hill on Wednesday, ...