|
Gcp module tests fail
|
|
3
|
627
|
December 29, 2021
|
|
Building psi4 installation with intel oneAPI
|
|
8
|
941
|
December 7, 2021
|
|
Error at make, file INSTALL cannot find
|
|
6
|
2218
|
August 18, 2021
|
|
Adding DFTD3 after compile
|
|
1
|
593
|
August 17, 2021
|
|
Problems finding MPFR
|
|
7
|
1474
|
October 5, 2021
|
|
Failed to apply run_psi4
|
|
3
|
547
|
July 13, 2021
|
|
Problem with building Psi4-1.4
|
|
4
|
1478
|
May 1, 2021
|
|
"Did not find a BLAS library." in building PSI3
|
|
2
|
637
|
April 8, 2021
|
|
Segmentation fault after install
|
|
9
|
1727
|
March 27, 2021
|
|
Issues Passing Variables to pyc Module
|
|
0
|
598
|
November 30, 2020
|
|
Minimal psi4 for testing purposes
|
|
5
|
656
|
November 23, 2020
|
|
Build psi4.core Module
|
|
3
|
646
|
November 23, 2020
|
|
Problem with building Psi4-1.3
|
|
14
|
3043
|
August 20, 2020
|
|
Library issues through Mac-Anaconda
|
|
2
|
1277
|
July 29, 2020
|
|
Inconsistency with main Anaconda package
|
|
3
|
1009
|
September 27, 2020
|
|
Straight segmentation fault when using psi4 (even just psi4 --version)
|
|
4
|
978
|
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
|
1378
|
November 27, 2019
|
|
Compilation of PCMsolver
|
|
1
|
763
|
October 23, 2019
|
|
Psi4 linked to gomp and iomp5
|
|
4
|
1299
|
October 9, 2019
|
|
Built from source, now how do i uninstall psi4?
|
|
6
|
1524
|
November 2, 2019
|
|
Cmake Error No external BLAS library found
|
|
2
|
1657
|
June 26, 2019
|
|
OpenMP library linking problem
|
|
3
|
1763
|
May 6, 2019
|
|
How to restart a killed CBS job in PSI4?
|
|
2
|
847
|
April 26, 2019
|
|
Difference between two types of SAPT
|
|
0
|
738
|
February 26, 2019
|
|
A detailed article on SAPT is requested
|
|
0
|
757
|
February 23, 2019
|
|
About the concept of energy decomposition
|
|
12
|
1231
|
April 22, 2019
|
|
About user-defined basis set in PSI4
|
|
10
|
2331
|
April 21, 2019
|
|
Plugin with TargetLAPACK cannot find -lsvml during linking
|
|
2
|
910
|
January 30, 2019
|