Developer News & Discussion


Topic Replies Activity
About the Developer News & Discussion category 1 January 28, 2016
Self-interaction correction 4 March 22, 2019
Algorithm behind GaussView 5.0 Clean function? 3 January 20, 2019
Optional XML Output from psi4 invocation 8 December 3, 2018
How to tell plugin which blas library is used? 2 August 27, 2018
Development proposal for OEProp 3 August 2, 2018
Manual Update: DFOCC requires SCF_TYPE = DISK_DF 4 May 14, 2018
Warning: cannot automatically bond atom with strange atomic number 5 April 10, 2018
Small bug in Matrix::gemm 3 March 9, 2018
Problem with orbital-optimized methods (omp2, olccd) and frequency calculations 3 July 23, 2017
Module to Calculate UV/VIS Spectra 2 May 9, 2017
Psi Workshop and Developer Plans for Fall 2016 7 November 2, 2016
Binary testers needed 18 July 1, 2016
MintsHelper did not match c++ signature 4 May 17, 2016
Mac binary testing 4 April 26, 2016
Python interface to plugins 5 April 25, 2016
NumPy Psi4 dependency 2 April 18, 2016
Units and printing 9 April 11, 2016
Python 2.6 support 5 March 15, 2016
Naming considerations for cepa(0) 9 February 29, 2016
Ideas to simplify wave function passing 12 February 27, 2016
Release Candidate 1 7 February 26, 2016
Wavefunction passing update 2 February 16, 2016
Psi4 GitHub changes 1 February 12, 2016
Managed methods, feedback required 6 February 10, 2016