If I remember correctly, the current main branch of PPAFM is the old OpenCL_py3 branch and the old main branch is now master_backup. The problem is that the current main branch is very different from master_backup and PPSTM doesn't work correctly with the new main branch, at least for the test molecules in PPSTM. This is a big problem because currently PPSTM is essentially broken.
Suggestion
To make PPSTM work again, we should for now install the master_backup branch of PPAFM in install_PPAFM.sh instead of the main branch. If we want to make PPSTM work again with the main branch of PPAFM, we have to work with PPAFM code.
Problem
If I remember correctly, the current main branch of PPAFM is the old OpenCL_py3 branch and the old
main
branch is nowmaster_backup
. The problem is that the currentmain
branch is very different frommaster_backup
and PPSTM doesn't work correctly with the newmain
branch, at least for the test molecules in PPSTM. This is a big problem because currently PPSTM is essentially broken.Suggestion
To make PPSTM work again, we should for now install the
master_backup
branch of PPAFM in install_PPAFM.sh instead of the main branch. If we want to make PPSTM work again with the main branch of PPAFM, we have to work with PPAFM code.