85c394453c
This update contains several fixes and small new features or usability improvements. Descriptions and authorship information can be accessed from the pull requests listed below. Skip the zero-step also when multiple run commands are executed in sequence (@giacomofiorin) https://github.com/Colvars/colvars/pull/357 Do not accumulate data at step 0 (@giacomofiorin) https://github.com/Colvars/colvars/pull/345 Support for symmetry permutations of atoms in RMSD (@jhenin) https://github.com/Colvars/colvars/pull/344 Detect new grid parameters (@jhenin) https://github.com/Colvars/colvars/pull/341 Only access the output streams in non-threaded regions (@giacomofiorin) https://github.com/Colvars/colvars/pull/338 Fix incomplete setting of default colvarsRestartFrequency (@giacomofiorin) https://github.com/Colvars/colvars/pull/334 Fix typo (@e-kwsm) https://github.com/Colvars/colvars/pull/333 Convert the input keyword to lowercase in read_state_data_key (@HanatoK) https://github.com/Colvars/colvars/pull/332 Implement reflecting b.c. for ext Lagrangian (@jhenin) https://github.com/Colvars/colvars/pull/329
50 lines
2.0 KiB
C++
50 lines
2.0 KiB
C++
// -*- c++ -*-
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// This file is part of the Collective Variables module (Colvars).
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// The original version of Colvars and its updates are located at:
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// https://github.com/Colvars/colvars
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// Please update all Colvars source files before making any changes.
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// If you wish to distribute your changes, please submit them to the
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// Colvars repository at GitHub.
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#include <vector>
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#include <cstdlib>
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#include <stdlib.h>
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#include <string.h>
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#include "colvarproxy.h"
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#include "colvardeps.h"
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#include "colvarscript.h"
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#include "colvarscript_commands.h"
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// Instantiate the body of all colvar-specific script commands
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#define CVSCRIPT_COMM_FN(COMM,N_ARGS_MIN,N_ARGS_MAX,ARGS,FN_BODY) \
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int CVSCRIPT_COMM_FNAME(COMM)(void *pobj, \
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int objc, unsigned char *const objv[]) \
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{ \
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if (cvm::debug()) { \
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cvm::log("Executing script function \""+std::string(#COMM)+"\""); \
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} \
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colvarscript *script = colvarscript_obj(); \
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script->clear_str_result(); \
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if (script->check_colvar_cmd_nargs(#COMM, \
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objc, N_ARGS_MIN, N_ARGS_MAX) != \
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COLVARSCRIPT_OK) { \
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return COLVARSCRIPT_ERROR; \
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} \
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colvar *this_colvar = colvar_obj(pobj); \
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FN_BODY; \
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}
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#undef CVSCRIPT
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#define CVSCRIPT(COMM,HELP,N_ARGS_MIN,N_ARGS_MAX,ARGS,FN_BODY) \
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CVSCRIPT_COMM_FN(COMM,N_ARGS_MIN,N_ARGS_MAX,ARGS,FN_BODY)
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#include "colvarscript_commands_colvar.h"
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#undef CVSCRIPT_COMM_FN
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#undef CVSCRIPT
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