-
Notifications
You must be signed in to change notification settings - Fork 16
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Multilevel molecule #114
base: master
Are you sure you want to change the base?
Multilevel molecule #114
Commits on Mar 19, 2019
-
Configuration menu - View commit details
-
Copy full SHA for 8b1727d - Browse repository at this point
Copy the full SHA 8b1727dView commit details
Commits on Apr 9, 2019
-
aggregate_base: Added possibility to use multilevel monomers in an ag…
…gregate. Generalized aggregate build pocedure to allow external definition of bands for electronic states. Generalized coupling calculation and storage for interaction between multilevel monomers. hamiltonian: Allow hamiltonian blocks with zero size.
Configuration menu - View commit details
-
Copy full SHA for 4521a56 - Browse repository at this point
Copy the full SHA 4521a56View commit details -
Configuration menu - View commit details
-
Copy full SHA for 9ec8bf5 - Browse repository at this point
Copy the full SHA 9ec8bf5View commit details -
Configuration menu - View commit details
-
Copy full SHA for c2d95c3 - Browse repository at this point
Copy the full SHA c2d95c3View commit details -
Configuration menu - View commit details
-
Copy full SHA for 6111768 - Browse repository at this point
Copy the full SHA 6111768View commit details -
Configuration menu - View commit details
-
Copy full SHA for df07796 - Browse repository at this point
Copy the full SHA df07796View commit details
Commits on May 17, 2019
-
Agreagte-base: Added possibility to use effective transition widths f…
…or multilevel molecules. Added laboratory information to the aggregate class - needed for calculation with real pulses.
Configuration menu - View commit details
-
Copy full SHA for 4df82ac - Browse repository at this point
Copy the full SHA 4df82acView commit details -
Agregate_spectroscopy: Added possibility to load laboratory into aggr…
…egate - for realistic pulses. Added two patways which allow relaxation to the ground ground state.
Configuration menu - View commit details
-
Copy full SHA for 1607d2f - Browse repository at this point
Copy the full SHA 1607d2fView commit details -
Configuration menu - View commit details
-
Copy full SHA for e37a32f - Browse repository at this point
Copy the full SHA e37a32fView commit details -
DIagramatics: When pulses are defined transition dipoles are rescalle…
…d according to the electric field.
Configuration menu - View commit details
-
Copy full SHA for 8ebdd86 - Browse repository at this point
Copy the full SHA 8ebdd86View commit details -
Labsetup: Added possibility to define gausian pulse centered around n…
…onzero frequency.
Configuration menu - View commit details
-
Copy full SHA for e631b8a - Browse repository at this point
Copy the full SHA e631b8aView commit details -
Configuration menu - View commit details
-
Copy full SHA for 1e7481d - Browse repository at this point
Copy the full SHA 1e7481dView commit details -
Configuration menu - View commit details
-
Copy full SHA for 28514b2 - Browse repository at this point
Copy the full SHA 28514b2View commit details -
Merge pull request #2 from slamavl/contribution2
Extended 2D and pump-probe spectra simulation for multilevel molecules.
Configuration menu - View commit details
-
Copy full SHA for ee8f096 - Browse repository at this point
Copy the full SHA ee8f096View commit details
Commits on Nov 5, 2019
-
Agregate base: Added possibility to set coupling externaly and read c…
…oupling from Hamiltonian matrix. The rotatory strength matrix in site basis is also calculated and added as RR during agregate build.
Configuration menu - View commit details
-
Copy full SHA for dbf3efa - Browse repository at this point
Copy the full SHA dbf3efaView commit details -
Aggregate_spectroscopy: Add relaxation from the single excited state …
…block to the ground states
Configuration menu - View commit details
-
Copy full SHA for f233539 - Browse repository at this point
Copy the full SHA f233539View commit details -
Configuration menu - View commit details
-
Copy full SHA for 560c802 - Browse repository at this point
Copy the full SHA 560c802View commit details -
limbladform: Add possibility to specify the the rate matrix for the f…
…ull vibronic system.
Configuration menu - View commit details
-
Copy full SHA for 0c1a5a4 - Browse repository at this point
Copy the full SHA 0c1a5a4View commit details -
abscalculator: Correct correlation function and reorganization form m…
…ultilevel monomers. Calculate all linear spectra at once (Abs, Fluor. and CD)
Configuration menu - View commit details
-
Copy full SHA for 005ea0c - Browse repository at this point
Copy the full SHA 005ea0cView commit details -
Configuration menu - View commit details
-
Copy full SHA for 7fbbe3d - Browse repository at this point
Copy the full SHA 7fbbe3dView commit details -
Configuration menu - View commit details
-
Copy full SHA for 059a7cd - Browse repository at this point
Copy the full SHA 059a7cdView commit details -
Configuration menu - View commit details
-
Copy full SHA for dd21efd - Browse repository at this point
Copy the full SHA dd21efdView commit details -
Configuration menu - View commit details
-
Copy full SHA for 66c52ac - Browse repository at this point
Copy the full SHA 66c52acView commit details -
Configuration menu - View commit details
-
Copy full SHA for 8933066 - Browse repository at this point
Copy the full SHA 8933066View commit details -
Configuration menu - View commit details
-
Copy full SHA for 8928336 - Browse repository at this point
Copy the full SHA 8928336View commit details -
Configuration menu - View commit details
-
Copy full SHA for 28e193d - Browse repository at this point
Copy the full SHA 28e193dView commit details -
Merge branch 'contribution2' of https://github.com/slamavl/quantarhei …
…into contribution2
Configuration menu - View commit details
-
Copy full SHA for 965b58f - Browse repository at this point
Copy the full SHA 965b58fView commit details -
Configuration menu - View commit details
-
Copy full SHA for f93524f - Browse repository at this point
Copy the full SHA f93524fView commit details -
Configuration menu - View commit details
-
Copy full SHA for 1b06e09 - Browse repository at this point
Copy the full SHA 1b06e09View commit details -
Configuration menu - View commit details
-
Copy full SHA for 8b2369e - Browse repository at this point
Copy the full SHA 8b2369eView commit details -
Configuration menu - View commit details
-
Copy full SHA for 535c4bc - Browse repository at this point
Copy the full SHA 535c4bcView commit details
Commits on Dec 9, 2019
-
aggregate_base: Add Possibility to include magnetic transition dipole…
… moment for calculation of the CD sspectra. Added definition of the rotatory strength in velocity gauge
Configuration menu - View commit details
-
Copy full SHA for 61f112d - Browse repository at this point
Copy the full SHA 61f112dView commit details -
molecules: Added velocity and magnetic transition dipole moment (in g…
…auge independent form)
Configuration menu - View commit details
-
Copy full SHA for acfe99a - Browse repository at this point
Copy the full SHA acfe99aView commit details -
units: Corrected definition of the dipole units and conversion factor…
…s to be consistent with the default units and to tramsform the same way as the energy
Configuration menu - View commit details
-
Copy full SHA for 2d67280 - Browse repository at this point
Copy the full SHA 2d67280View commit details -
abscalculator: Add opossibility to calculate absorption and CD spectr…
…a with only gaussian broadening of the stick spectra - good for comparison with QM softwares
Configuration menu - View commit details
-
Copy full SHA for 299d67e - Browse repository at this point
Copy the full SHA 299d67eView commit details -
Configuration menu - View commit details
-
Copy full SHA for 5592d4d - Browse repository at this point
Copy the full SHA 5592d4dView commit details
Commits on Dec 11, 2019
-
Configuration menu - View commit details
-
Copy full SHA for a4e779d - Browse repository at this point
Copy the full SHA a4e779dView commit details
Commits on Jan 29, 2020
-
Configuration menu - View commit details
-
Copy full SHA for f1da0f2 - Browse repository at this point
Copy the full SHA f1da0f2View commit details -
Added possibility to cleate aggregates from multilevel molecules. The…
… band assignment is obtained from molecule definition without external definition
Configuration menu - View commit details
-
Copy full SHA for 934d63f - Browse repository at this point
Copy the full SHA 934d63fView commit details -
Configuration menu - View commit details
-
Copy full SHA for 9dfa379 - Browse repository at this point
Copy the full SHA 9dfa379View commit details -
Fix of the lifetime broadening for calculation of the linear spectra.…
… Now working also for the higher excitonic states than the first one.
Configuration menu - View commit details
-
Copy full SHA for b695f7d - Browse repository at this point
Copy the full SHA b695f7dView commit details -
Configuration menu - View commit details
-
Copy full SHA for cfe2d12 - Browse repository at this point
Copy the full SHA cfe2d12View commit details -
Revert "Fix of the lifetime broadening for calculation of the linear …
…spectra. Now working also for the higher excitonic states than the first one." his reverts commit b695f7d.
Configuration menu - View commit details
-
Copy full SHA for 673fb23 - Browse repository at this point
Copy the full SHA 673fb23View commit details -
Revert "Revert "Fix of the lifetime broadening for calculation of the…
… linear spectra. Now working also for the higher excitonic states than the first one."" This reverts commit 673fb23.
Configuration menu - View commit details
-
Copy full SHA for b10953b - Browse repository at this point
Copy the full SHA b10953bView commit details -
Merge branch 'master' of https://github.com/tmancal74/quantarhei into…
… multilevel_build_only
Configuration menu - View commit details
-
Copy full SHA for d0f952d - Browse repository at this point
Copy the full SHA d0f952dView commit details -
Configuration menu - View commit details
-
Copy full SHA for 2840cd8 - Browse repository at this point
Copy the full SHA 2840cd8View commit details -
Configuration menu - View commit details
-
Copy full SHA for 64e3680 - Browse repository at this point
Copy the full SHA 64e3680View commit details -
Configuration menu - View commit details
-
Copy full SHA for 663fdd8 - Browse repository at this point
Copy the full SHA 663fdd8View commit details -
Configuration menu - View commit details
-
Copy full SHA for 024672a - Browse repository at this point
Copy the full SHA 024672aView commit details
Commits on Feb 3, 2020
-
Configuration menu - View commit details
-
Copy full SHA for ee7c7f0 - Browse repository at this point
Copy the full SHA ee7c7f0View commit details -
Configuration menu - View commit details
-
Copy full SHA for b092294 - Browse repository at this point
Copy the full SHA b092294View commit details -
Configuration menu - View commit details
-
Copy full SHA for b04f02a - Browse repository at this point
Copy the full SHA b04f02aView commit details -
Configuration menu - View commit details
-
Copy full SHA for c6e2cd6 - Browse repository at this point
Copy the full SHA c6e2cd6View commit details -
Configuration menu - View commit details
-
Copy full SHA for cebd89c - Browse repository at this point
Copy the full SHA cebd89cView commit details -
Configuration menu - View commit details
-
Copy full SHA for 61c673b - Browse repository at this point
Copy the full SHA 61c673bView commit details -
Configuration menu - View commit details
-
Copy full SHA for dd15ff2 - Browse repository at this point
Copy the full SHA dd15ff2View commit details
Commits on Feb 4, 2020
-
Configuration menu - View commit details
-
Copy full SHA for 4e0c684 - Browse repository at this point
Copy the full SHA 4e0c684View commit details
Commits on Jul 20, 2020
-
Aggregate_base: Corrected asignment of the coupling between molecules…
…. Added possibility to use correlation matrix for the calculation of the Redfield rates
Configuration menu - View commit details
-
Copy full SHA for 79fc488 - Browse repository at this point
Copy the full SHA 79fc488View commit details -
Added possibility to use correlation matrix for the calculation of th…
…e Redfield rates
Configuration menu - View commit details
-
Copy full SHA for 6fc907e - Browse repository at this point
Copy the full SHA 6fc907eView commit details -
Added possibility to use correlation matrix for the calculation of th…
…e Redfield rates
Configuration menu - View commit details
-
Copy full SHA for 2f8bd3d - Browse repository at this point
Copy the full SHA 2f8bd3dView commit details -
Approximative evolution superoperator. Use only population dynamics w…
…hen constructing the evolution superoperator
Configuration menu - View commit details
-
Copy full SHA for 9dce944 - Browse repository at this point
Copy the full SHA 9dce944View commit details -
Added possibilit to use approximative evolution operator with only po…
…pulations (saves memmory).
Configuration menu - View commit details
-
Copy full SHA for 7fceeb1 - Browse repository at this point
Copy the full SHA 7fceeb1View commit details -
Added possibilit to use approximative evolution operator with only po…
…pulations (saves memmory). Improved print of the spectra.
Configuration menu - View commit details
-
Copy full SHA for 46e68ff - Browse repository at this point
Copy the full SHA 46e68ffView commit details -
abscalculator: Added linear dichroism spectra. Corrected fluorescence…
… spectra for the vibronic aggregate (summ over ground states).
Configuration menu - View commit details
-
Copy full SHA for d4ae620 - Browse repository at this point
Copy the full SHA d4ae620View commit details -
Configuration menu - View commit details
-
Copy full SHA for 468355b - Browse repository at this point
Copy the full SHA 468355bView commit details -
Configuration menu - View commit details
-
Copy full SHA for 12e9ac1 - Browse repository at this point
Copy the full SHA 12e9ac1View commit details
Commits on Nov 25, 2020
-
Configuration menu - View commit details
-
Copy full SHA for fd2901b - Browse repository at this point
Copy the full SHA fd2901bView commit details -
Configuration menu - View commit details
-
Copy full SHA for e83efb2 - Browse repository at this point
Copy the full SHA e83efb2View commit details -
Configuration menu - View commit details
-
Copy full SHA for 167575c - Browse repository at this point
Copy the full SHA 167575cView commit details -
Added gaussian broadening to aggregate spectra. The broadening is per…
…formed on the final spectra.
Configuration menu - View commit details
-
Copy full SHA for 354dfff - Browse repository at this point
Copy the full SHA 354dfffView commit details -
Added gaussian broadening to aggregate CD spectra. The broadening is …
…performed on the final spectra.
Configuration menu - View commit details
-
Copy full SHA for e37bd5c - Browse repository at this point
Copy the full SHA e37bd5cView commit details
Commits on Jan 24, 2022
-
Vladislav Slama committed
Jan 24, 2022 Configuration menu - View commit details
-
Copy full SHA for c42c6f4 - Browse repository at this point
Copy the full SHA c42c6f4View commit details -
Vladislav Slama committed
Jan 24, 2022 Configuration menu - View commit details
-
Copy full SHA for 3478cd9 - Browse repository at this point
Copy the full SHA 3478cd9View commit details -
Vladislav Slama committed
Jan 24, 2022 Configuration menu - View commit details
-
Copy full SHA for b02c698 - Browse repository at this point
Copy the full SHA b02c698View commit details -
Vladislav Slama committed
Jan 24, 2022 Configuration menu - View commit details
-
Copy full SHA for b0793e6 - Browse repository at this point
Copy the full SHA b0793e6View commit details