|
Installing Psi4 and Psi4Numpy on arm64
|
|
1
|
804
|
March 16, 2022
|
|
Gcp module tests fail
|
|
3
|
627
|
December 29, 2021
|
|
Building psi4 installation with intel oneAPI
|
|
8
|
945
|
December 7, 2021
|
|
Error at make, file INSTALL cannot find
|
|
6
|
2240
|
August 18, 2021
|
|
Adding DFTD3 after compile
|
|
1
|
594
|
August 17, 2021
|
|
Problems finding MPFR
|
|
7
|
1491
|
October 5, 2021
|
|
Failed to apply run_psi4
|
|
3
|
547
|
July 13, 2021
|
|
Problem with building Psi4-1.4
|
|
4
|
1483
|
May 1, 2021
|
|
"Did not find a BLAS library." in building PSI3
|
|
2
|
638
|
April 8, 2021
|
|
Segmentation fault after install
|
|
9
|
1741
|
March 27, 2021
|
|
Issues Passing Variables to pyc Module
|
|
0
|
599
|
November 30, 2020
|
|
Minimal psi4 for testing purposes
|
|
5
|
656
|
November 23, 2020
|
|
Build psi4.core Module
|
|
3
|
649
|
November 23, 2020
|
|
Problem with building Psi4-1.3
|
|
14
|
3043
|
August 20, 2020
|
|
Library issues through Mac-Anaconda
|
|
2
|
1279
|
July 29, 2020
|
|
Inconsistency with main Anaconda package
|
|
3
|
1011
|
September 27, 2020
|
|
Straight segmentation fault when using psi4 (even just psi4 --version)
|
|
4
|
979
|
September 18, 2020
|
|
Angular momenta beyond i functions
|
|
3
|
1229
|
May 14, 2020
|
|
Problem building Psi4-1.4
|
|
4
|
811
|
June 27, 2020
|
|
Undefined symbol: mkl_lapack_ao_dgetrf
|
|
5
|
1388
|
November 27, 2019
|
|
Compilation of PCMsolver
|
|
1
|
763
|
October 23, 2019
|
|
Psi4 linked to gomp and iomp5
|
|
4
|
1302
|
October 9, 2019
|
|
Built from source, now how do i uninstall psi4?
|
|
6
|
1534
|
November 2, 2019
|
|
Cmake Error No external BLAS library found
|
|
2
|
1673
|
June 26, 2019
|
|
OpenMP library linking problem
|
|
3
|
1772
|
May 6, 2019
|
|
How to restart a killed CBS job in PSI4?
|
|
2
|
847
|
April 26, 2019
|
|
Difference between two types of SAPT
|
|
0
|
739
|
February 26, 2019
|
|
A detailed article on SAPT is requested
|
|
0
|
757
|
February 23, 2019
|
|
About the concept of energy decomposition
|
|
12
|
1239
|
April 22, 2019
|
|
About user-defined basis set in PSI4
|
|
10
|
2340
|
April 21, 2019
|