|
About the Developer News & Discussion category
|
|
0
|
2185
|
January 28, 2016
|
|
PSI4 Plugin Interface
|
|
0
|
25
|
June 10, 2025
|
|
Performance and Integration Scheme of Range-Separated Hybrids
|
|
0
|
104
|
June 20, 2024
|
|
How does Psi4 build portable packages?
|
|
2
|
72
|
June 11, 2024
|
|
Which B97 is which?
|
|
2
|
421
|
May 28, 2024
|
|
How to pass an array in Psi4 plugin development?
|
|
1
|
257
|
March 27, 2023
|
|
Calculated of energy decomposition with Not converge SCF
|
|
4
|
340
|
March 20, 2023
|
|
Self-interaction correction
|
|
3
|
801
|
March 22, 2019
|
|
Algorithm behind GaussView 5.0 Clean function?
|
|
2
|
960
|
January 20, 2019
|
|
Optional XML Output from psi4 invocation
|
|
7
|
1206
|
December 3, 2018
|
|
How to tell plugin which blas library is used?
|
|
1
|
996
|
August 27, 2018
|
|
Development proposal for OEProp
|
|
2
|
1059
|
August 2, 2018
|
|
Manual Update: DFOCC requires SCF_TYPE = DISK_DF
|
|
3
|
1072
|
May 14, 2018
|
|
Warning: cannot automatically bond atom with strange atomic number
|
|
4
|
1228
|
April 10, 2018
|
|
Small bug in Matrix::gemm
|
|
2
|
1101
|
March 9, 2018
|
|
Problem with orbital-optimized methods (omp2, olccd) and frequency calculations
|
|
2
|
1591
|
July 23, 2017
|
|
Module to Calculate UV/VIS Spectra
|
|
1
|
1764
|
May 9, 2017
|
|
Psi Workshop and Developer Plans for Fall 2016
|
|
6
|
3708
|
November 2, 2016
|
|
Binary testers needed
|
|
17
|
3488
|
July 1, 2016
|
|
MintsHelper did not match c++ signature
|
|
3
|
2388
|
May 17, 2016
|
|
Mac binary testing
|
|
3
|
2101
|
April 26, 2016
|
|
Python interface to plugins
|
|
4
|
2515
|
April 25, 2016
|
|
NumPy Psi4 dependency
|
|
1
|
2250
|
April 18, 2016
|
|
Units and printing
|
|
8
|
3893
|
April 11, 2016
|
|
Python 2.6 support
|
|
4
|
2081
|
March 15, 2016
|
|
Naming considerations for cepa(0)
|
|
8
|
3425
|
February 29, 2016
|
|
Ideas to simplify wave function passing
|
|
11
|
2895
|
February 27, 2016
|
|
Release Candidate 1
|
|
6
|
2063
|
February 26, 2016
|
|
Wavefunction passing update
|
|
1
|
2207
|
February 16, 2016
|
|
Psi4 GitHub changes
|
|
0
|
2176
|
February 12, 2016
|