Issues
- 2
Compiling Issues
#282 opened by AngeloRaymondRossi - 1
Transition dipole moments
#285 opened by Physfock - 1
problem in NACME calculation using CASPT2 method
#264 opened by Piju123 - 0
Qustion about NEVPT2 calculation for open shell systems to obtain excited states
#286 opened by Yasto55 - 4
- 2
The correct signs at determinants in CASSCF
#283 opened by valievrashid - 0
NBO analysis using CASPT2 electron density from BAGEL?
#281 opened by EvGeGr - 2
How to run calculations under point charge
#269 opened by 1637782459 - 1
Bagel Installation error in make
#277 opened by satyam2709 - 1
How to get converged Lagrange multiplier in CASSCF
#273 opened by lizhuzh - 1
Ecp basis set
#274 opened by darkcoordinate - 1
Are NEVPT2 analytical gradients available in BAGEL?
#279 opened by EvGeGr - 5
- 0
Failing of a test from TestSuite
#276 opened by EvGeGr - 0
- 2
Segmentatipn Fault
#272 opened by satyam2709 - 1
Bagel installation : Boost regex library
#271 opened by satyam2709 - 4
- 4
- 3
how to perform CASSCF calculation of diradical ?
#267 opened by ABQTrap - 2
- 0
Problems when using CASPT2 method
#265 opened by meng1027-wang - 10
CASSCF calculation on large system
#260 opened by similt - 0
Error encountered when compiling (undefined reference to bagel::Matrix1e ...)
#263 opened by kalinitejxu - 0
explicitbond error during excited state optimization
#262 opened by saumik-psi - 5
Testcase he3_svp_asd-dmrg fails with MPICH 4.0.1
#242 opened by mbanck - 1
poor performance with AMD Threadripper 3970x
#261 opened by craldaz - 2
- 2
Errors in load_ref
#259 opened by Lewis-Hutton1 - 1
Problems compilling BAGEL using Boost 1.79.0
#258 opened by rdguerrerom - 1
A memory problem with ecp basis sets
#256 opened by FreemanTheMaverick - 1
Some primitives are missing in cc-pvdz
#257 opened by FreemanTheMaverick - 1
Dyson method not working
#254 opened by tnorthey - 1
- 2
- 4
A problem with iodine
#251 opened by FreemanTheMaverick - 1
A question about df_basis
#249 opened by WANGBO428 - 1
- 1
./TestSuite fails without explanation
#248 opened by yurivict - 1
Natural orbitals for RAS-CI calculation?
#247 opened by duykhoidang - 0
2 1-rdm
#246 opened by ewapastorczak - 1
XMS-CASPT state characters
#241 opened by erjvd - 5
Final XMS-CASPT2 CI vector
#244 opened by LinyaoZhang - 4
How to read moden file in ASD calculations
#245 opened by WANGBO428 - 2
Another problem in CASPT2 gradient
#243 opened by FreemanTheMaverick - 4
Failing tests on s390x
#240 opened by utkarsh2102 - 0
Fix underlying issue for #237
#238 opened by shiozaki - 1
Fix underlying problem in #229
#239 opened by shiozaki - 4
Atomic species available
#235 opened by glopez7057 - 4