Jon Grumer
This PR adds the `tool/rfinetune `code and necessary modifications to the `apps/jj2lsj` transformation routine. See Y. Li [Atoms 2023, 11(4), 70](https://doi.org/10.3390/atoms11040070) for details. As mentiioned the updates also include a...
The new `rmcdhf_mem `codes are really great, but they are currently limited to GNU/Linux systems due to the use of `/proc/meminfo` to obtain the memory usage. We should try to...
1. We should add the possibility to print level energies in the line list produced by the ratbtrans1 + rtabtrans2 codes - for these codes it would also be good...
We need to add installation (especially CMake) instructions on: - how to use non-default compiler options -`FFLAGS` should be used throughout instead of `FC_FLAGS` which is not recognized by `CMake`...
Implementation of @cffischer's proposed shorter and more informative format for `.c` configuration state functions lists (CSL's). The `lodcsl` implementations are done by Julian Chan @julian0506. **Short explanation of the format...
@gaigalas found a serious bug in rcsfgenerate: **Email from Gediminas [2019-10-18]** It seems that there are some bug in the rcsfgenerate program. Here is the scripts for rcsfgenerate program: ```...
As highlighted in a recent email by @cffischer, `jj2lsj` crashes on lists with both parities present, and does not print out any warnings ( I think?). Only @gaigalas knows how...
In order to solve for (optimise on) all eigenstates belonging to a group of configurations having more than "a few" f-electrons (-holes) - such as eg Dy I, II or...
For Breit-Wigner SCF/CI+RMBPT calculations, there's a difference between allowed `ICCUT` values (zero-order space block sizes) in `rangular` and `rangular_mpi`. The latter does not accept `ICCUT` blocks of size 1, while...
### Background I guess many of us are thinking about how we could modernize/generalize the installation procedure of the codes. As an example it would be nice to have a...