Mjolnir-MD/Mjolnir

Issues

• merge calc_force and calc_energy via boolean template parameter

  #291 opened 3 years ago by ToruNiina
  1

• add `calc_force_and_virial`

  #298 opened 3 years ago by ToruNiina
  1

• Add combination-rule class and simplify implementation in global potential

  #285 opened 3 years ago by ToruNiina
  2

• DCD Header

  #289 opened 4 years ago by bondrewd
  2

• Consider moving to C++17

  #286 opened 4 years ago by ToruNiina
  0

• update sample input files

  #262 opened 4 years ago by ToruNiina
  1

• Change MultipleBasin input format

  #244 opened 4 years ago by ToruNiina
  0

• pass string to Interactions.dump_energy()

  #243 opened 4 years ago by ToruNiina
  1

• documents in English

  #155 opened 4 years ago by ToruNiina
  1

• try mdbook or docsify for docs

  #162 opened 4 years ago by ToruNiina
  2

• Multiple Basin Forcefield

  #156 opened 4 years ago by ToruNiina
  2

• energy calculation mode

  #145 opened 5 years ago by ToruNiina
  1

• support PWMcos interaction

  #154 opened 5 years ago by ToruNiina
  0

• cmake option to skip tests

  #172 opened 5 years ago by ToruNiina
  0

• support PDNS interaction

  #153 opened 5 years ago by ToruNiina
  1

• update toml11

  #157 opened 5 years ago by ToruNiina
  1

• specialize ExternalDistanceInteraction to more concrete types

  #84 opened 6 years ago by ToruNiina
  0

• enable to choose output content

  #114 opened 5 years ago by ToruNiina
  0

• introduce particle_id_type instead of std::size_t

  #108 opened 5 years ago by ToruNiina
  1

• remove deprecated features

  #142 opened 5 years ago by ToruNiina
  1

• move RandomNumberGenerator from Integrator to Simulator

  #110 opened 5 years ago by ToruNiina
  2

• simplify input for 3SPN2

  #143 opened 5 years ago by ToruNiina
  1

• enable to generate initial velocities

  #144 opened 5 years ago by ToruNiina
  1

• enable to ignore inter- or intra-group interaction in global interaction

  #128 opened 5 years ago by ToruNiina
  1

• enable to set positions of data points in FlexibleLocalAngle

  #129 opened 5 years ago by ToruNiina
  1

• enable to define a variable in forcefield

  #113 opened 5 years ago by ToruNiina
  2

• particle without charge

  #13 opened 5 years ago by ToruNiina
  1

• Organize multiple Observers

  #64 opened 6 years ago by ToruNiina
  1

• rename T_begin/end

  #54 opened 6 years ago by ToruNiina
  1

• Is the name "Go1012Contact" clear?

  #52 opened 6 years ago by ToruNiina
  1

• Explicitly set `PeriodicGaussian` for `DihedralAngleInteraction`

  #46 opened 6 years ago by ToruNiina
  1

• move `simulator.parameters` to `simulator.integrator.parameters`

  #47 opened 6 years ago by ToruNiina
  1

• use UpperCamelCase for all the input values

  #48 opened 6 years ago by ToruNiina
  1

• add interface to reduce margin

  #42 opened 6 years ago by ToruNiina
  0

• enable Observer to control format after reading input file

  #44 opened 6 years ago by ToruNiina
  2

• progress bar and log file

  #20 opened 6 years ago by ToruNiina
  2

• rename Stepper -> Integrator

  #35 opened 6 years ago by ToruNiina
  0

• simplify the implementation of FlexibleLocalAngle

  #34 opened 6 years ago by ToruNiina
  0

• merge files related to the unit system

  #38 opened 6 years ago by ToruNiina
  0

• rename value in the input files

  #32 opened 6 years ago by ToruNiina
  4

• Upgrade toml11 from v1 to v2

  #30 opened 6 years ago by ToruNiina
  1

• Rename variable 2

  #9 opened 6 years ago by bondrewd
  3

• enable to split an input file

  #11 opened 6 years ago by ToruNiina
  2

• enable to use tuple of potentials as a potential

  #3 opened 6 years ago by ToruNiina
  2

• determine the tolerance

  #1 opened 6 years ago by ToruNiina
  1

• time elapsed in the simulation

  #10 opened 6 years ago by ToruNiina
  1

• Rename variable

  #8 opened 7 years ago by bondrewd
  5

• cutoff ratio of excluded volume

  #4 opened 7 years ago by yutakasi634
  1

• store fastest speed in system

  #2 opened 7 years ago by ToruNiina
  0