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31 Open 243 Closed
31 Open 243 Closed
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Issues list

CASSCF
#287 opened Oct 31, 2024 by Physfock
Qustion about NEVPT2 calculation for open shell systems to obtain excited states
#286 opened Aug 2, 2024 by Yasto55
NBO analysis using CASPT2 electron density from BAGEL?
#281 opened Mar 19, 2024 by EvGeGr
Failing of a test from TestSuite
#276 opened Feb 9, 2024 by EvGeGr
custom engine of geomeTRIC to work with BAGEL for constrained optimization ？
#268 opened Apr 14, 2023 by ABQTrap
4
Problems when using CASPT2 method
#265 opened Feb 27, 2023 by meng1027-wang
problem in NACME calculation using CASPT2 method
#264 opened Feb 10, 2023 by Piju123
1
Error encountered when compiling (undefined reference to bagel::Matrix1e ...)
#263 opened Dec 12, 2022 by kalinitejxu
explicitbond error during excited state optimization
#262 opened Nov 29, 2022 by saumik-psi
poor performance with AMD Threadripper 3970x
#261 opened Nov 17, 2022 by craldaz
1
CASSCF calculation on large system
#260 opened Nov 16, 2022 by similt
10
Errors in load_ref
#259 opened Nov 14, 2022 by Lewis-Hutton1
2
Problems compilling BAGEL using Boost 1.79.0
#258 opened Sep 26, 2022 by rdguerrerom
1
A memory problem with ecp basis sets
#256 opened Aug 17, 2022 by FreemanTheMaverick
1
Natural orbitals for RAS-CI calculation?
#247 opened Jun 14, 2022 by duykhoidang
1
Another problem in CASPT2 gradient
#243 opened Apr 29, 2022 by FreemanTheMaverick
2
Testcase he3_svp_asd-dmrg fails with MPICH 4.0.1
#242 opened Apr 3, 2022 by mbanck
5
Issues compiling BAGEL in Fedora
#228 opened Jun 23, 2021 by susilehtola
2
Linear molecule optimization
#215 opened Nov 13, 2020 by valievrashid
2
spin-orbit coupling calculation enhancement
#210 opened Sep 26, 2020 by ning0035
1
How to accelerate the convergence for optimization of MECI
#206 opened Jul 10, 2020 by panwangzhou
EXIT CODE: 7; CASPT2 with imaginary shifts
#204 opened Jun 8, 2020 by Alexandr-Zaykov
1
4 failures in testsuite
#188 opened Oct 31, 2019 by VishalKJ
OpenMPI runtime tuning (rankfile) Information
#184 opened Oct 10, 2019 by VishalKJ
5
Initial hessian
#172 opened Jul 30, 2019 by AndreyShtyrov
3
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