votca-csg-tutorials-2022-6.fc37 in Fedora Rawhide
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Package Info
🠗 Changelog
🠗 Dependencies
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2022-05-04 | Thomas Rodgers <trodgers at redhat dot com> - 2022-6 | - Rebuilt for Boost 1.78 |
| 2022-04-27 | Christoph Junghans <junghans at votca dot org> - 2022-5 | - Rebuild for gromacs-2022.1 |
| 2022-02-05 | Christoph Junghans <junghans at votca dot org> - 2022-4 | - Rebuild for gromacs-2021 |
| 2022-02-01 | Christoph Junghans <junghans at votca dot org> - 2022-3 | - Remove espressopp tutorial and hence py2 dep |
| 2022-01-22 | Fedora Release Engineering <releng at fedoraproject dot org> - 2022-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild |
| 2022-01-16 | Christoph Junghans <junghans at votca dot org> - 2022-1 | - Version bump to v2020 (bug #2041116) |
| 2021-12-29 | Christoph Junghans <junghans at votca dot org> - 2022~rc2-2 | - Incorporated changes from package review (bug #2032487#c7) |
| 2021-12-23 | Christoph Junghans <junghans at votca dot org> - 2022~rc2-1 | - initial import (bug #2032487) |
Dependencies
- votca = 2022-6.fc37
Provides
- votca-csg-tutorials
Files
- usr/
- share/
- votca/
- csg-tutorials/
- LJ1-LJ2/
- imc/
- LJ1-LJ1.dist.tgt
- LJ1-LJ2.dist.tgt
- LJ2-LJ2.dist.tgt
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- settings_pre.xml
- svd.py
- table.xvg
- topol.top
- imc/
- README.rst
- guide/
- README.rst
- hexane/
- atomistic/
- Extract_Energies.sh
- boltzmann_cmds
- conf.gro
- grompp.mdp
- hexane.xml
- run.sh
- run_Boltzmann.sh
- settings.xml
- topol.top
- force_matching/
- fmatch.xml
- hexane.xml
- run.sh
- hybrid_force_matching/
- Extract_Energies.sh
- README
- fmatch.xml
- hexane.xml
- run.sh
- topol.top
- ibi_all/
- A-A.dist.tgt
- A-B.dist.tgt
- B-B.dist.tgt
- Extract_Energies.sh
- angle.dist.tgt
- bond.dist.tgt
- conf.gro
- grompp.mdp
- hexane_cg.xml
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- ibi_nonbonded/
- A-A.dist.tgt
- A-B.dist.tgt
- B-B.dist.tgt
- Extract_Energies.sh
- angle.xml
- boltzmann_cmds
- bond.xml
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- run_Boltzmann.sh
- settings.xml
- table.xvg
- table_a1.xvg
- table_b1.xvg
- topol.top
- atomistic/
- methanol/
- atomistic/
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- methanol.xml
- methanol_opls.itp
- run.sh
- settings.xml
- topol.top
- force_matching/
- fmatch.xml
- methanol.xml
- run.sh
- ibi/
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- index.ndx
- rdf_methanol.xvg
- run.sh
- settings.xml
- table.xvg
- topol.top
- imc/
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- index.ndx
- rdf_methanol.xvg
- run.sh
- settings.xml
- table.xvg
- topol.top
- imc_gromacs-remd/
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- grompp0.mdp
- grompp2.mdp
- grompp3.mdp
- index.ndx
- rdf_methanol.xvg
- run.sh
- settings.xml
- table.xvg
- topol.top
- atomistic/
- methanol-water/
- X_0.062/
- atomistic/
- conf.gro
- grompp.mdp
- methanol.xml
- methanol_opls.itp
- run.sh
- settings.xml
- topol.top
- water.xml
- re/
- ME-ME.aa.rdf
- ME-ME.param.init
- ME-WT.aa.rdf
- ME-WT.param.init
- WT-WT.aa.rdf
- WT-WT.param.init
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- simplex/
- ME-ME.aa.rdf
- ME-ME.simplex.in
- ME-WT.aa.rdf
- ME-WT.simplex.in
- WT-WT.aa.rdf
- WT-WT.simplex.in
- conf.gro
- function_CKDg_ME_ME.in
- function_CKDg_ME_WT.in
- function_CKDg_WT_WT.in
- function_rdf_weight.in
- grompp.mdp
- grompp.prep.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- atomistic/
- X_0.5/
- atomistic/
- conf.gro
- grompp.mdp
- methanol.xml
- methanol_opls.itp
- run.sh
- settings.xml
- topol.top
- water.xml
- re/
- ME-ME.aa.rdf
- ME-ME.param.init
- ME-WT.aa.rdf
- ME-WT.param.init
- WT-WT.aa.rdf
- WT-WT.param.init
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- simplex/
- ME-ME.aa.rdf
- ME-ME.simplex.in
- ME-WT.aa.rdf
- ME-WT.simplex.in
- WT-WT.aa.rdf
- WT-WT.simplex.in
- conf.gro
- function_CKDg_ME_ME.in
- function_CKDg_ME_WT.in
- function_CKDg_WT_WT.in
- function_rdf_weight.in
- grompp.mdp
- grompp.prep.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- atomistic/
- X_0.938/
- atomistic/
- conf.gro
- grompp.mdp
- methanol.xml
- methanol_opls.itp
- run.sh
- settings.xml
- topol.top
- water.xml
- re/
- ME-ME.aa.rdf
- ME-ME.param.init
- ME-WT.aa.rdf
- ME-WT.param.init
- WT-WT.aa.rdf
- WT-WT.param.init
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- simplex/
- ME-ME.aa.rdf
- ME-ME.simplex.in
- ME-WT.aa.rdf
- ME-WT.simplex.in
- WT-WT.aa.rdf
- WT-WT.simplex.in
- conf.gro
- function_CKDg_ME_ME.in
- function_CKDg_ME_WT.in
- function_CKDg_WT_WT.in
- function_rdf_weight.in
- grompp.mdp
- grompp.prep.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- atomistic/
- X_0.062/
- propane/
- atomistic/
- Extract_Energies.sh
- conf.gro
- fmatch.xml
- grompp.mdp
- propane.xml
- run.sh
- topol.top
- ibi/
- A-A.dist.tgt
- A-B.dist.tgt
- B-B.dist.tgt
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- table_a1.xvg
- table_b1.xvg
- topol.top
- imc/
- A-A.dist.tgt
- A-B.dist.tgt
- B-B.dist.tgt
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- table_a1.xvg
- table_b1.xvg
- topol.top
- single_chain/
- Extract_Energies.sh
- boltzmann_cmds
- conf.gro
- grompp.mdp
- propane.xml
- run.sh
- run_boltzmann.sh
- run_fmatch.sh
- settings.xml
- topol.top
- atomistic/
- scripts/
- Extract_Energies.sh
- spce/
- atomistic/
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- run.sh
- settings.xml
- topol.top
- water.xml
- cma/
- density/
- CG-CG.cma.in
- conf.gro
- dens_CG_CG_aim.xvg
- grompp.mdp
- grompp.prep.mdp
- index.ndx
- rdf_CG_CG_aim.xvg
- run.sh
- settings.xml
- table.xvg
- topol.top
- simple/
- CG-CG.cma.in
- CG-CG.dist.tgt
- conf.gro
- function_CKDg.in
- function_rdf_weight.in
- grompp.mdp
- grompp.prep.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- density/
- force_matching/
- fmatch.xml
- run.sh
- water.xml
- hncgn/
- CG-CG.dist.tgt
- conf.gro
- grompp.mdp
- index.ndx
- settings.xml
- table.xvg
- topol.top
- ibi/
- CG-CG.dist.tgt
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- ibi_dlpoly/
- CG-CG.dist.tgt
- CONFIG
- CONTROL
- FIELD
- OUTPUT
- run.sh
- settings.xml
- ibi_espresso/
- CG-CG.dist.tgt
- run.sh
- settings.xml
- spce.gro
- spce.py
- topol.xml
- ibi_gromacs-multi/
- CG-CG.dist.tgt
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- ibi_hoomd-blue/
- CG-CG.dist.tgt
- conf.gro
- run.sh
- settings.xml
- spce.py
- topol.xml
- ibi_lammps/
- CG-CG.dist.tgt
- run.sh
- settings.xml
- spce.data
- spce.in
- ibi_pressure/
- CG-CG.dist.tgt
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- ibi_pressure_wjk/
- CG-CG.dist.tgt
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- imc/
- CG-CG.dist.tgt
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- re/
- CG-CG.dist.tgt
- CG-CG.param.init
- Extract_Energies.sh
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- re_lammps/
- CG-CG.dist.tgt
- CG-CG.param.init
- run.sh
- settings.xml
- spce.data
- spce.in
- realtime/
- CG-CG.dist.tgt
- allplots.gp
- conf.gro
- grompp.mdp
- index.ndx
- pot.fm
- pot.ibm
- pot.imc
- run.sh
- settings.xml
- table.xvg
- topol.top
- realtime_lammps/
- CG-CG.dist.tgt
- allplots.gp
- pot.fm
- pot.ibm
- pot.imc
- run.sh
- settings.xml
- spce.data
- spce.in
- simplex/
- density/
- CG-CG.simplex.in
- conf.gro
- dens_CG_CG_aim.xvg
- grompp.mdp
- grompp.prep.mdp
- index.ndx
- rdf_CG_CG_aim.xvg
- run.sh
- settings.xml
- table.xvg
- topol.top
- pressure/
- CG-CG.dist.tgt
- CG-CG.simplex.in
- conf.gro
- function_CKDg.in
- function_rdf_weight.in
- grompp.mdp
- grompp.prep.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- simple/
- CG-CG.cma.in
- CG-CG.dist.tgt
- CG-CG.simplex.in
- conf.gro
- function_CKDg.in
- function_rdf_weight.in
- grompp.mdp
- grompp.prep.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- density/
- atomistic/
- urea-water/
- atomistic/
- Urea.itp
- conf.gro
- grompp.mdp
- non-bonded.xml
- run.sh
- topol.top
- urea.xml
- water.itp
- water.xml
- cibi/
- A-A.dist.tgt
- A-A.pot.in
- A-B.dist.tgt
- A-B.pot.in
- B-B.dist.tgt
- B-B.pot.in
- README
- conf.gro
- grompp.mdp
- index.ndx
- pre/
- A-A.dist.tgt
- A-B.dist.tgt
- B-B.dist.tgt
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- run.sh
- settings.xml
- table.xvg
- topol.top
- ibi/
- SOL-SOL.dist.tgt
- UR-SOL.dist.tgt
- UR-UR.dist.tgt
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- table.xvg
- topol.top
- kb-ibi/
- README
- SOL-SOL.dist.tgt
- UR-SOL.dist.tgt
- UR-UR.dist.tgt
- conf.gro
- grompp.mdp
- index.ndx
- run.sh
- settings.xml
- settings_2.xml
- settings_3.xml
- table.xvg
- topol.top
- atomistic/
- LJ1-LJ2/
- csg-tutorials/
- votca/
- share/
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