Developer News & Discussion


About the Developer News & Discussion category (1)
Optional XML Output from psi4 invocation (8)
How to tell plugin which blas library is used? (2)
Development proposal for OEProp (3)
Manual Update: DFOCC requires SCF_TYPE = DISK_DF (4)
Warning: cannot automatically bond atom with strange atomic number (5)
Small bug in Matrix::gemm (3)
Problem with orbital-optimized methods (omp2, olccd) and frequency calculations (3)
Module to Calculate UV/VIS Spectra (2)
Psi Workshop and Developer Plans for Fall 2016 (7)
Binary testers needed (18)
MintsHelper did not match c++ signature (4)
Mac binary testing (4)
Python interface to plugins (5)
NumPy Psi4 dependency (2)
Units and printing (9)
Python 2.6 support (5)
Naming considerations for cepa(0) (9)
Ideas to simplify wave function passing (12)
Release Candidate 1 (7)
Wavefunction passing update (2)
Psi4 GitHub changes (1)
Managed methods, feedback required (6)