diff --git a/doc/lammps.1 b/doc/lammps.1 index e4f6c61477..b1be867e60 100644 --- a/doc/lammps.1 +++ b/doc/lammps.1 @@ -1,7 +1,7 @@ -.TH LAMMPS "1" "8 February 2023" "2023-02-08" +.TH LAMMPS "1" "28 March 2023" "2023-03-28" .SH NAME .B LAMMPS -\- Molecular Dynamics Simulator. Version 8 February 2023 +\- Molecular Dynamics Simulator. Version 28 March 2023 .SH SYNOPSIS .B lmp diff --git a/doc/src/Developer_updating.rst b/doc/src/Developer_updating.rst index 28b3712ae0..36c6974b30 100644 --- a/doc/src/Developer_updating.rst +++ b/doc/src/Developer_updating.rst @@ -389,7 +389,7 @@ This change is **required** or else the code will not compile. Rename of fix STORE/PERATOM to fix STORE/ATOM and change of arguments ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ -.. versionchanged:: TBD +.. versionchanged:: 28Mar2023 The available functionality of the internal fix to store per-atom properties was expanded to enable storing data with ghost atoms and to diff --git a/doc/src/bond_bpm_rotational.rst b/doc/src/bond_bpm_rotational.rst index 0b3fa4442c..ba93d679ba 100644 --- a/doc/src/bond_bpm_rotational.rst +++ b/doc/src/bond_bpm_rotational.rst @@ -143,7 +143,7 @@ the *overlay/pair* keyword. These settings require specific restrictions. Further details can be found in the `:doc: how to ` page on BPMs. -.. versionadded:: TBD +.. versionadded:: 28Mar2023 If the *break/no* keyword is used, then LAMMPS assumes bonds should not break during a simulation run. This will prevent some unnecessary calculation. diff --git a/doc/src/bond_bpm_spring.rst b/doc/src/bond_bpm_spring.rst index 5391d81420..5762dbe208 100644 --- a/doc/src/bond_bpm_spring.rst +++ b/doc/src/bond_bpm_spring.rst @@ -109,7 +109,7 @@ the *overlay/pair* keyword. These settings require specific restrictions. Further details can be found in the `:doc: how to ` page on BPMs. -.. versionadded:: TBD +.. versionadded:: 28Mar2023 If the *break/no* keyword is used, then LAMMPS assumes bonds should not break during a simulation run. This will prevent some unnecessary calculation. diff --git a/doc/src/bond_harmonic_restrain.rst b/doc/src/bond_harmonic_restrain.rst index c9707f5546..8ef92d8b44 100644 --- a/doc/src/bond_harmonic_restrain.rst +++ b/doc/src/bond_harmonic_restrain.rst @@ -21,7 +21,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 28Mar2023 The *harmonic/restrain* bond style uses the potential diff --git a/doc/src/compute_dipole.rst b/doc/src/compute_dipole.rst index fa1ca4ce0b..d8bcb29c71 100644 --- a/doc/src/compute_dipole.rst +++ b/doc/src/compute_dipole.rst @@ -42,7 +42,7 @@ geometric center times the net charge from the computed dipole vector. Both per-atom charges and per-atom dipole moments, if present, contribute to the computed dipole. -.. versionadded:: TBD +.. versionadded:: 28Mar2023 Compute *dipole/tip4p* includes adjustments for the charge carrying point M in molecules with TIP4P water geometry. The corresponding diff --git a/doc/src/compute_dipole_chunk.rst b/doc/src/compute_dipole_chunk.rst index 4e89bb748a..92289e10f9 100644 --- a/doc/src/compute_dipole_chunk.rst +++ b/doc/src/compute_dipole_chunk.rst @@ -51,7 +51,7 @@ center times the net charge from the computed dipole vector. Both per-atom charges and per-atom dipole moments, if present, contribute to the computed dipole. -.. versionadded:: TBD +.. versionadded:: 28Mar2023 Compute *dipole/tip4p/chunk* includes adjustments for the charge carrying point M in molecules with TIP4P water geometry. The diff --git a/doc/src/compute_pressure_alchemy.rst b/doc/src/compute_pressure_alchemy.rst index bdf9802e20..dcf6754c02 100644 --- a/doc/src/compute_pressure_alchemy.rst +++ b/doc/src/compute_pressure_alchemy.rst @@ -26,7 +26,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 28Mar2023 Define a compute style that makes the "mixed" system pressure available for a system that uses the :doc:`fix alchemy ` command to diff --git a/doc/src/fix_alchemy.rst b/doc/src/fix_alchemy.rst index 367b6d1cca..4f0ad06fd4 100644 --- a/doc/src/fix_alchemy.rst +++ b/doc/src/fix_alchemy.rst @@ -24,7 +24,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 28Mar2023 This fix command enables an "alchemical transformation" to be performed between two systems, whereby one system slowly transforms into the other diff --git a/doc/src/fix_efield.rst b/doc/src/fix_efield.rst index eebfaba8c6..e72510e4da 100644 --- a/doc/src/fix_efield.rst +++ b/doc/src/fix_efield.rst @@ -45,7 +45,7 @@ external electric field being applied to the system. If the system contains point-dipoles, also add a torque on the dipoles due to the external electric field. -.. versionadded:: TBD +.. versionadded:: 28Mar2023 When the *efield/tip4p* style is used, the E-field will be applied to the position of the virtual charge site M of a TIP4P molecule instead of diff --git a/doc/src/fix_mdi_qmmm.rst b/doc/src/fix_mdi_qmmm.rst index c933bb1e0e..3485e5152b 100644 --- a/doc/src/fix_mdi_qmmm.rst +++ b/doc/src/fix_mdi_qmmm.rst @@ -39,7 +39,7 @@ Examples Description """"""""""" -.. versionadded:: TBD +.. versionadded:: 28Mar2023 This command enables LAMMPS to act as a client with another server code to perform a coupled QM/MM (quantum-mechanics/molecular-mechanics) diff --git a/doc/src/fix_pimd.rst b/doc/src/fix_pimd.rst index 84c6e47c1f..eae14e9e86 100644 --- a/doc/src/fix_pimd.rst +++ b/doc/src/fix_pimd.rst @@ -33,7 +33,7 @@ Examples Description """"""""""" -.. versionchanged:: TBD +.. versionchanged:: 28Mar2023 Fix pimd was renamed to fix pimd/nvt. diff --git a/doc/src/fix_wall.rst b/doc/src/fix_wall.rst index cdf3c16cef..2cf5aeccff 100644 --- a/doc/src/fix_wall.rst +++ b/doc/src/fix_wall.rst @@ -194,7 +194,7 @@ For style *wall/morse*, the energy E is given by a Morse potential: E = D_0 \left[ e^{- 2 \alpha (r - r_0)} - 2 e^{- \alpha (r - r_0)} \right] \qquad r < r_c -.. versionadded:: TBD +.. versionadded:: 28Mar2023 For style *wall/lepton*, the energy E is provided as an Lepton expression string using "r" as the distance variable. The `Lepton @@ -215,7 +215,7 @@ spring as in fix *wall/harmonic* with a force constant *K* (same as :math:`\epsilon` above) of 100 energy units. More details on the Lepton expression strings are given below. -.. versionadded:: TBD +.. versionadded:: 28Mar2023 For style *wall/table*, the energy E and forces are determined from interpolation tables listed in one or more files as a function of diff --git a/doc/src/pair_gauss.rst b/doc/src/pair_gauss.rst index 5ac8f2aff4..dbbe39d4cf 100644 --- a/doc/src/pair_gauss.rst +++ b/doc/src/pair_gauss.rst @@ -170,7 +170,7 @@ The *gauss* and *gauss/cut* styles are part of the EXTRA-PAIR package. They are only enabled if LAMMPS is build with that package. See the :doc:`Build package ` page for more info. -.. versionchanged:: TBD +.. versionchanged:: 28Mar2023 Prior to this version, the *gauss* pair style did not apply :doc:`special_bonds ` factors. diff --git a/src/version.h b/src/version.h index ab4c21ece9..d37d757374 100644 --- a/src/version.h +++ b/src/version.h @@ -1 +1 @@ -#define LAMMPS_VERSION "8 Feb 2023" +#define LAMMPS_VERSION "28 Mar 2023"